Chemical Properties of Heptane, 2-methyl- (CAS 592-27-8)

InChI

InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3

InChI Key

JVSWJIKNEAIKJW-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCCCC(C)C

Molecular Weight¹

114.23

CAS

592-27-8

Other Names

• (CH3)2CH(CH2)4CH3
• 2-methylheptane
• Methylheptane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• V_m : Molar Volume (m³/mol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
ω	[0.3776; 0.3780]
ω	0.3780		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3776		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3780		ChemSep v8.3 pure component data Compiled value
ω	0.3780		KDB
AP	347.150	K	KDB
ΔcH°liquid	[-5465.50; -5274.60]	kJ/mol
ΔcH°liquid	-5465.50 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-5447.10	kJ/mol	NIST
ΔcH°liquid	-5274.60	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[11.80; 12.77]	kJ/mol
ΔfG°	11.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	12.77	kJ/mol	KDB
Δc,grossH	5465.48	kJ/mol	KDB
Δc,netH	5069.335	kJ/mol	KDB
ΔfH°gas	[-215.60; -215.40]	kJ/mol
ΔfH°gas	-215.40	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-215.60	kJ/mol	KDB
ΔfH°gas	-215.50 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-255.20 ± 1.30	kJ/mol	NIST
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 39.80]	kJ/mol
ΔvapH°	39.72	kJ/mol	NIST
ΔvapH°	39.70 ± 0.10	kJ/mol	NIST
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	39.80 ± 0.10	kJ/mol	NIST
ΔvapH°	39.67	kJ/mol	NIST
ΔvapH°	Outlier 33.00	kJ/mol	NIST
IE	[9.74; 9.84]	eV
IE	9.84 ± 0.10	eV	NIST
IE	9.76	eV	NIST
IE	9.84 ± 0.10	eV	NIST
IE	9.74 ± 0.15	eV	NIST
log10WS	[-5.08; -5.08]
log10WS	-5.08		Aq. Solubility Prediction
log10WS	-5.08		Estimated Solubility
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2480.00; 2500.00]	kPa
Pc	2500.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2499.69	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2484.18	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2480.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2500.00	kPa	KDB
Pc	2500.00 ± 20.00	kPa	NIST
Pc	2500.00 ± 40.00	kPa	NIST
Pc	2484.20 ± 40.53	kPa	NIST
Ptriple	1.06e-06	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[234.17; 234.17]	kg/m3
ρc	234.17 ± 2.28	kg/m3	NIST
ρc	234.17 ± 4.57	kg/m3	NIST
Inp	[754.00; 778.00]
Inp	765.50		NIST
Inp	765.80		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	766.30		NIST
Inp	765.00		NIST
Inp	767.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.70		NIST
Inp	765.60		NIST
Inp	766.00		NIST
Inp	766.20		NIST
Inp	766.30		NIST
Inp	766.30		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	766.50		NIST
Inp	766.40		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	Outlier 754.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	765.20		NIST
Inp	764.90		NIST
Inp	765.00		NIST
Inp	764.60		NIST
Inp	764.60		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	Outlier 772.52		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	764.80		NIST
Inp	767.00		NIST
Inp	765.00		NIST
Inp	765.10		NIST
Inp	764.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.50		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	763.00		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	764.10		NIST
Inp	769.00		NIST
Inp	765.00		NIST
Inp	Outlier 778.00		NIST
Inp	766.90		NIST
Inp	761.38		NIST
Inp	761.79		NIST
Inp	762.50		NIST
Inp	764.10		NIST
Inp	761.00		NIST
Inp	761.10		NIST
Inp	762.25		NIST
Inp	762.36		NIST
Inp	763.00		NIST
Inp	763.03		NIST
Inp	763.50		NIST
Inp	763.00		NIST
Inp	765.90		NIST
Inp	765.50		NIST
Inp	765.50		NIST
Inp	766.78		NIST
Inp	766.99		NIST
Inp	767.12		NIST
Inp	765.99		NIST
Inp	766.21		NIST
Inp	766.26		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	Outlier 776.21		NIST
Inp	764.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	Outlier 756.00		NIST
Inp	767.00		NIST
Inp	763.00		NIST
Inp	767.00		NIST
Inp	764.30		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	Outlier 775.00		NIST
Inp	767.00		NIST
Inp	760.00		NIST
Inp	759.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	768.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	Outlier 758.54		NIST
Inp	764.00		NIST
Inp	766.00		NIST
Inp	763.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	762.00		NIST
Inp	761.00		NIST
Inp	766.00		NIST
Inp	Outlier 775.00		NIST
Inp	Outlier 772.00		NIST
Inp	770.00		NIST
Inp	Outlier 772.00		NIST
Inp	760.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	764.10		NIST
Inp	759.00		NIST
Inp	Outlier 772.00		NIST
Ip	[750.00; 764.00]
Ip	750.00		NIST
Ip	764.00		NIST
Ip	764.00		NIST
S°gas	459.49 ± 0.88	J/mol×K	NIST
S°liquid	356.39	J/mol×K	NIST
Tboil	[389.15; 391.60]	K
Tboil	390.80	K	ChemSep v8.3 pure component data Compiled value
Tboil	390.81	K	KDB
Tboil	390.80	K	NIST
Tboil	390.80	K	NIST
Tboil	391.00 ± 3.00	K	NIST
Tboil	390.00 ± 3.00	K	NIST
Tboil	391.00 ± 2.00	K	NIST
Tboil	390.80 ± 0.20	K	NIST
Tboil	Outlier 391.60 ± 2.00	K	NIST
Tboil	390.79 ± 0.10	K	NIST
Tboil	390.40 ± 0.30	K	NIST
Tboil	390.85 ± 0.20	K	NIST
Tboil	390.78 ± 0.20	K	NIST
Tboil	390.55 ± 0.50	K	NIST
Tboil	390.85 ± 0.30	K	NIST
Tboil	391.00 ± 0.30	K	NIST
Tboil	390.86 ± 0.20	K	NIST
Tboil	390.90 ± 0.15	K	NIST
Tboil	390.90 ± 0.20	K	NIST
Tboil	390.79 ± 0.01	K	NIST
Tboil	390.90 ± 0.20	K	NIST
Tboil	390.85 ± 0.20	K	NIST
Tboil	390.75 ± 0.50	K	NIST
Tboil	390.15 ± 1.00	K	NIST
Tboil	390.15 ± 1.50	K	NIST
Tboil	390.00 ± 3.00	K	NIST
Tboil	390.85 ± 0.10	K	NIST
Tboil	390.80 ± 0.30	K	NIST
Tboil	390.79 ± 0.10	K	NIST
Tboil	391.15 ± 0.30	K	NIST
Tboil	391.25 ± 0.30	K	NIST
Tboil	389.85 ± 0.50	K	NIST
Tboil	Outlier 389.75 ± 0.60	K	NIST
Tboil	390.35 ± 0.60	K	NIST
Tboil	390.35 ± 0.50	K	NIST
Tboil	391.00 ± 1.00	K	NIST
Tboil	390.65 ± 1.50	K	NIST
Tboil	Outlier 389.15 ± 0.30	K	NIST
Tboil	390.90 ± 1.00	K	NIST
Tboil	391.15 ± 1.00	K	NIST
Tc	[559.56; 559.70]	K
Tc	559.70	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	559.70	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	559.64	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	559.60	K	ChemSep v8.3 pure component data Compiled value
Tc	559.70	K	KDB
Tc	559.70 ± 0.10	K	NIST
Tc	559.70 ± 0.20	K	NIST
Tc	559.60	K	NIST
Tc	559.56 ± 0.40	K	NIST
Tc	559.57 ± 0.20	K	NIST
Tfus	[160.00; 165.52]	K
Tfus	164.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	164.16	K	ChemSep v8.3 pure component data Compiled value
Tfus	164.16	K	KDB
Tfus	165.52	K	Aq. Solubility Prediction
Tfus	163.59 ± 0.20	K	NIST
Tfus	163.59 ± 0.30	K	NIST
Tfus	163.52 ± 0.20	K	NIST
Tfus	163.52 ± 0.30	K	NIST
Tfus	163.90 ± 0.02	K	NIST
Tfus	164.02 ± 0.09	K	NIST
Tfus	164.03 ± 0.06	K	NIST
Tfus	164.11 ± 0.05	K	NIST
Tfus	163.32 ± 0.15	K	NIST
Tfus	163.55 ± 0.50	K	NIST
Tfus	163.65 ± 0.10	K	NIST
Tfus	Outlier 160.00 ± 0.30	K	NIST
Tfus	162.15 ± 2.00	K	NIST
Tfus	161.85 ± 1.50	K	NIST
Ttriple	[154.87; 164.19]	K
Ttriple	164.16	K	ChemSep v8.3 pure component data Compiled value
Ttriple	164.18 ± 0.04	K	NIST
Ttriple	164.19 ± 0.01	K	NIST
Ttriple	163.15 ± 0.02	K	NIST
Ttriple	164.14 ± 0.02	K	NIST
Ttriple	164.14 ± 0.02	K	NIST
Ttriple	164.14 ± 0.40	K	NIST
Ttriple	154.91 ± 0.02	K	NIST
Ttriple	154.87 ± 0.04	K	NIST
Ttriple	154.91 ± 0.03	K	NIST
Ttriple	154.87 ± 0.05	K	NIST
UQi	4.93		ChemSep v8.3 pure component data Compiled value
URi	5.85		ChemSep v8.3 pure component data Compiled value
Vc	[0.488; 0.488]	m3/kmol
Vc	0.488	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.488	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.488	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.488	m3/kmol	KDB
Vc	0.488	m3/kmol	NIST
Zc	[0.2600000; 0.2621610]
Zc	0.2620000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2600000		ChemSep v8.3 pure component data Compiled value
Zc	0.2621610		KDB
Zra	0.26		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.13; 265.52]	J/mol×K	[298.15; 448.15]
Cp,gas	186.13	J/mol×K	298.15	NIST
Cp,gas	202.07	J/mol×K	323.15	NIST
Cp,gas	230.06	J/mol×K	373.15	NIST
Cp,gas	248.37	J/mol×K	408.15	NIST
Cp,gas	265.52	J/mol×K	448.15	NIST
Cp,liquid	[251.58; 252.00]	J/mol×K	[298.15; 298.15]
Cp,liquid	252.00	J/mol×K	298.15	NIST
Cp,liquid	251.58	J/mol×K	298.15	NIST
Csat	[213.20; 288.40]	J/mol×K	[180.00; 370.00]
Csat	213.20	J/mol×K	180.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	215.00	J/mol×K	190.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	217.00	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	219.40	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	222.10	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	225.00	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	228.20	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	231.70	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	235.40	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	239.40	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	240.70	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	243.60	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	247.90	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	251.60	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	252.50	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	257.20	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	262.10	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	267.10	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	272.30	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	277.60	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	282.90	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	288.40	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[11.92; 11.92]	kJ/mol	[64.19; 164.20]
ΔfusH	11.92	kJ/mol	64.19	NIST
ΔfusH	11.92	kJ/mol	164.20	NIST
ΔfusH	11.92	kJ/mol	164.20	NIST
ΔvapH	[33.26; 41.60]	kJ/mol	[258.00; 390.80]
ΔvapH	41.60	kJ/mol	258.00	NIST
ΔvapH	38.70 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	37.30 ± 0.10	kJ/mol	333.00	NIST
ΔvapH	39.80	kJ/mol	338.50	NIST
ΔvapH	36.00 ± 0.10	kJ/mol	353.00	NIST
ΔvapH	38.10	kJ/mol	353.00	NIST
ΔvapH	33.81	kJ/mol	390.80	KDB
ΔvapH	33.26	kJ/mol	390.80	NIST
n0	1.39257		298.15	KDB
ρl	702.00	kg/m3	289.00	KDB
ΔfusS	72.60	J/mol×K	64.19	NIST
γ	0.02	N/m	298.20	KDB
λliquid	[0.11; 0.12]	W/m×K	[259.12; 328.23]
λliquid	0.12	W/m×K	259.12	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	259.33	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	259.51	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	277.53	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	277.77	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	277.96	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	295.72	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	295.95	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	296.16	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	313.83	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	314.07	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	314.30	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	327.74	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	328.00	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	328.23	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
Vm	[1.63e-04; 1.64e-04]	m3/mol	[288.05; 298.15]
Vm	1.63e-04	m3/mol	288.05	Thermodynamic study of (perfluoroalkane + alkane) mixtures: Excess and solvation enthalpies
Vm	1.64e-04	m3/mol	298.15	Thermodynamic study of (perfluoroalkane + alkane) mixtures: Excess and solvation enthalpies

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	389.20	K	101.00	NIST

Datasets

1. Molar heat capacity at constant pressure, J/K/mol (1)
2. Mass density, kg/m3 (1)

Molar heat capacity at constant pressure, J/K/mol

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Molar heat capacity at constant pressure, J/K/mol - Liquid
293.15	100.00	236.20
293.15	5000.00	233.80
293.15	10000.00	231.70
293.15	15000.00	229.10
293.15	20000.00	228.00
293.15	25000.00	224.80
313.15	100.00	249.60
313.15	5000.00	246.80
313.15	10000.00	245.10
313.15	15000.00	243.20
313.15	20000.00	240.80
313.15	25000.00	235.10
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
298.15	100.00	693.9
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.18; 508.48]	J/mol×K	[150.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.08850e+02
Coefficient B			-6.12400e+02
Coefficient C			6.41924e+00
Coefficient D			-9.18540e-06
Coefficient E			-2.95870e-09
Temperature range, min.			150.00
Temperature range, max.			1500.00
Cp,gas	119.18	J/mol×K	150.00	Calculated Property
Cp,gas	188.28	J/mol×K	300.00	Calculated Property
Cp,gas	265.44	J/mol×K	450.00	Calculated Property
Cp,gas	328.49	J/mol×K	600.00	Calculated Property
Cp,gas	377.70	J/mol×K	750.00	Calculated Property
Cp,gas	416.25	J/mol×K	900.00	Calculated Property
Cp,gas	446.87	J/mol×K	1050.00	Calculated Property
Cp,gas	471.57	J/mol×K	1200.00	Calculated Property
Cp,gas	491.77	J/mol×K	1350.00	Calculated Property
Cp,gas	508.48	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[209.71; 411.52]	J/mol×K	[164.00; 530.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			6.68210e+01
Coefficient B			3.32070e+01
Coefficient C			4.37724e+00
Coefficient D			2.19020e-03
Coefficient E			8.61420e-07
Temperature range, min.			164.00
Temperature range, max.			530.00
Cp,liquid	209.71	J/mol×K	164.00	Calculated Property
Cp,liquid	218.81	J/mol×K	204.67	Calculated Property
Cp,liquid	231.13	J/mol×K	245.33	Calculated Property
Cp,liquid	246.33	J/mol×K	286.00	Calculated Property
Cp,liquid	264.43	J/mol×K	326.67	Calculated Property
Cp,liquid	285.68	J/mol×K	367.33	Calculated Property
Cp,liquid	310.45	J/mol×K	408.00	Calculated Property
Cp,liquid	339.24	J/mol×K	448.67	Calculated Property
Cp,liquid	372.68	J/mol×K	489.33	Calculated Property
Cp,liquid	411.52	J/mol×K	530.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085933; 0.0001652]	Pa×s	[164.16; 423.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.37620e+00
Coefficient B			9.68160e+02
Coefficient C			-6.52270e-01
Coefficient D			1.81430e-06
Coefficient E			2.00000e+00
Temperature range, min.			164.16
Temperature range, max.			423.15
η	0.0085933	Pa×s	164.16	Calculated Property
η	0.0032695	Pa×s	192.94	Calculated Property
η	0.0015909	Pa×s	221.71	Calculated Property
η	0.0009118	Pa×s	250.49	Calculated Property
η	0.0005863	Pa×s	279.27	Calculated Property
η	0.0004102	Pa×s	308.04	Calculated Property
η	0.0003060	Pa×s	336.82	Calculated Property
η	0.0002400	Pa×s	365.60	Calculated Property
η	0.0001959	Pa×s	394.37	Calculated Property
η	0.0001652	Pa×s	423.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[48.55; 13.15]	kJ/mol	[164.16; 544.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			6.65784e+01
Coefficient B			1.35212e+00
Coefficient C			-1.87198e+00
Coefficient D			1.35461e+00
Coefficient E			-3.91149e-01
Critical temperature, Tc (K)			5.59600e+02
Temperature range, min.			164.16
Temperature range, max.			544.00
ΔvapH	48.55	kJ/mol	164.16	Calculated Property
ΔvapH	45.52	kJ/mol	206.36	Calculated Property
ΔvapH	42.77	kJ/mol	248.57	Calculated Property
ΔvapH	40.14	kJ/mol	290.77	Calculated Property
ΔvapH	37.49	kJ/mol	332.98	Calculated Property
ΔvapH	34.66	kJ/mol	375.18	Calculated Property
ΔvapH	31.46	kJ/mol	417.39	Calculated Property
ΔvapH	27.58	kJ/mol	459.59	Calculated Property
ΔvapH	22.36	kJ/mol	501.80	Calculated Property
ΔvapH	13.15	kJ/mol	544.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[284.25; 417.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43957e+01
Coefficient B			-3.39364e+03
Coefficient C			-4.37100e+01
Temperature range, min.			284.25
Temperature range, max.			417.28
Pvap	1.33	kPa	284.25	Calculated Property
Pvap	3.02	kPa	299.03	Calculated Property
Pvap	6.24	kPa	313.81	Calculated Property
Pvap	11.98	kPa	328.59	Calculated Property
Pvap	21.56	kPa	343.37	Calculated Property
Pvap	36.72	kPa	358.16	Calculated Property
Pvap	59.61	kPa	372.94	Calculated Property
Pvap	92.83	kPa	387.72	Calculated Property
Pvap	139.37	kPa	402.50	Calculated Property
Pvap	202.63	kPa	417.28	Calculated Property
Pvap	[9.12e-07; 2486.27]	kPa	[164.16; 559.60]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			9.10893e+01
Coefficient B			-7.74666e+03
Coefficient C			-1.13759e+01
Coefficient D			8.14343e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 559.7 K.
Temperature range, min.			164.16
Temperature range, max.			559.60
Pvap	9.12e-07	kPa	164.16	Calculated Property
Pvap	1.49e-03	kPa	208.10	Calculated Property
Pvap	0.13	kPa	252.04	Calculated Property
Pvap	2.45	kPa	295.97	Calculated Property
Pvap	18.79	kPa	339.91	Calculated Property
Pvap	82.96	kPa	383.85	Calculated Property
Pvap	256.91	kPa	427.79	Calculated Property
Pvap	629.57	kPa	471.72	Calculated Property
Pvap	1318.81	kPa	515.66	Calculated Property
Pvap	2486.27	kPa	559.60	Calculated Property
Pvap	[1.04e-06; 2474.20]	kPa	[164.16; 559.64]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.36210e+01
Coefficient B			-7.47230e+03
Coefficient C			-1.02064e+01
Coefficient D			6.78071e-06
Coefficient E			0.00000e+00
Temperature range, min.			164.16
Temperature range, max.			559.64
Pvap	1.04e-06	kPa	164.16	Calculated Property
Pvap	1.54e-03	kPa	208.10	Calculated Property
Pvap	0.13	kPa	252.04	Calculated Property
Pvap	2.44	kPa	295.99	Calculated Property
Pvap	18.77	kPa	339.93	Calculated Property
Pvap	83.36	kPa	383.87	Calculated Property
Pvap	259.37	kPa	427.81	Calculated Property
Pvap	636.04	kPa	471.76	Calculated Property
Pvap	1326.32	kPa	515.70	Calculated Property
Pvap	2474.20	kPa	559.64	Calculated Property
Pvap	[0.02; 1.15]	kPa	[233.00; 283.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57626e+01
Coefficient B			-3.95706e+03
Coefficient C			-2.96820e+01
Reference			Osborn and Douslin, 1974
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			233.00
Temperature range, max.			283.00
Pvap	0.02	kPa	233.00	Calculated Property
Pvap	0.04	kPa	238.56	Calculated Property
Pvap	0.07	kPa	244.11	Calculated Property
Pvap	0.11	kPa	249.67	Calculated Property
Pvap	0.17	kPa	255.22	Calculated Property
Pvap	0.26	kPa	260.78	Calculated Property
Pvap	0.38	kPa	266.33	Calculated Property
Pvap	0.56	kPa	271.89	Calculated Property
Pvap	0.81	kPa	277.44	Calculated Property
Pvap	1.15	kPa	283.00	Calculated Property
Pvap	[6.39; 103.89]	kPa	[314.86; 391.69]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39128e+01
Coefficient B			-3.07963e+03
Coefficient C			-5.94570e+01
Reference			Williamham, Taylor, et al., 1945
Temperature range, min.			314.86
Temperature range, max.			391.69
Pvap	6.39	kPa	314.86	Calculated Property
Pvap	9.44	kPa	323.40	Calculated Property
Pvap	13.61	kPa	331.93	Calculated Property
Pvap	19.18	kPa	340.47	Calculated Property
Pvap	26.49	kPa	349.01	Calculated Property
Pvap	35.93	kPa	357.54	Calculated Property
Pvap	47.90	kPa	366.08	Calculated Property
Pvap	62.88	kPa	374.62	Calculated Property
Pvap	81.36	kPa	383.15	Calculated Property
Pvap	103.89	kPa	391.69	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[788.11; 239.91]	kg/m3	[164.15; 559.60]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			4.59724e+01
Coefficient B			2.27970e-01
Coefficient C			5.59660e+02
Coefficient D			2.34280e-01
Comment			Range stopped at Tc; ChemSep gives it to 559.65 K.
Temperature range, min.			164.15
Temperature range, max.			559.60
ρl	788.11	kg/m3	164.15	Calculated Property
ρl	759.41	kg/m3	208.09	Calculated Property
ρl	729.03	kg/m3	252.03	Calculated Property
ρl	696.55	kg/m3	295.97	Calculated Property
ρl	661.37	kg/m3	339.91	Calculated Property
ρl	622.56	kg/m3	383.84	Calculated Property
ρl	578.47	kg/m3	427.78	Calculated Property
ρl	525.81	kg/m3	471.72	Calculated Property
ρl	455.51	kg/m3	515.66	Calculated Property
ρl	239.91	kg/m3	559.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 8.92e-04]	N/m	[164.16; 538.88]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.42120e-02
Coefficient B			1.29120e+01
Coefficient C			-2.93850e+00
Coefficient D			-6.21630e-04
Coefficient E			-3.24820e-06
Temperature range, min.			164.16
Temperature range, max.			538.88
γ	0.03	N/m	164.16	Calculated Property
γ	0.03	N/m	205.80	Calculated Property
γ	0.02	N/m	247.43	Calculated Property
γ	0.02	N/m	289.07	Calculated Property
γ	0.02	N/m	330.70	Calculated Property
γ	0.01	N/m	372.34	Calculated Property
γ	0.01	N/m	413.97	Calculated Property
γ	0.01	N/m	455.61	Calculated Property
γ	0.00	N/m	497.24	Calculated Property
γ	8.92e-04	N/m	538.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.09]	W/m×K	[164.16; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			4.80890e-05
Coefficient B			1.09640e+00
Coefficient C			-1.42760e+02
Coefficient D			1.70130e+05
Temperature range, min.			164.16
Temperature range, max.			1000.00
λgas	0.00	W/m×K	164.16	Calculated Property
λgas	0.01	W/m×K	257.03	Calculated Property
λgas	0.01	W/m×K	349.90	Calculated Property
λgas	0.02	W/m×K	442.77	Calculated Property
λgas	0.04	W/m×K	535.64	Calculated Property
λgas	0.05	W/m×K	628.52	Calculated Property
λgas	0.06	W/m×K	721.39	Calculated Property
λgas	0.07	W/m×K	814.26	Calculated Property
λgas	0.08	W/m×K	907.13	Calculated Property
λgas	0.09	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.07]	W/m×K	[164.15; 503.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-3.82210e-04
Coefficient B			3.89810e+01
Coefficient C			-2.07500e+00
Coefficient D			6.26250e-04
Coefficient E			-3.84230e-06
Temperature range, min.			164.15
Temperature range, max.			503.15
λliquid	0.16	W/m×K	164.15	Calculated Property
λliquid	0.15	W/m×K	201.82	Calculated Property
λliquid	0.14	W/m×K	239.48	Calculated Property
λliquid	0.13	W/m×K	277.15	Calculated Property
λliquid	0.12	W/m×K	314.82	Calculated Property
λliquid	0.11	W/m×K	352.48	Calculated Property
λliquid	0.10	W/m×K	390.15	Calculated Property
λliquid	0.09	W/m×K	427.82	Calculated Property
λliquid	0.08	W/m×K	465.48	Calculated Property
λliquid	0.07	W/m×K	503.15	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 2-methyl-.

Mixtures

• Heptane, 2-methyl- + Methyl Alcohol
• Heptane, 2-methyl- + 1-Butanol
• Heptane, 2-methyl- + Hexane, tetradecafluoro-

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Liquid liquid equilibria of imidazolium based ionic liquid + pyridine + hydrocarbon at 298.15 K: Experiments and correlations
• Thermodynamic study of (perfluoroalkane + alkane) mixtures: Excess and solvation enthalpies
• Thermodynamic characterization of the mixture (1-butanol + iso-octane): Densities, viscosities, and isobaric heat capacities at high pressures
• Conformational analysis of branched alkanes using limiting partial molar volumes
• Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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