Chemical Properties of Heptane, 4-methyl- (CAS 589-53-7)

InChI

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

InChI Key

CHBAWFGIXDBEBT-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCC(C)CCC

Molecular Weight¹

114.23

CAS

589-53-7

Other Names

• (n-C3H7)2CHCH3
• 4-Methyl-heptane
• 4-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.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (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).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3687; 0.3710]
ω	0.3690		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3687		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3710		ChemSep v8.3 pure component data Compiled value
ω	0.3710		KDB
AP	344.750	K	KDB
ΔcH°liquid	-5468.90 ± 1.00	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[15.71; 16.75]	kJ/mol
ΔfG°	15.71	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	16.75	kJ/mol	KDB
Δc,grossH	5468.86	kJ/mol	KDB
Δc,netH	5072.724	kJ/mol	KDB
ΔfH°gas	[-212.20; -211.96]	kJ/mol
ΔfH°gas	-211.96	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-212.20	kJ/mol	KDB
ΔfH°gas	-212.10 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-251.80 ± 1.20	kJ/mol	NIST
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	[33.80; 39.75]	kJ/mol
ΔvapH°	39.75	kJ/mol	NIST
ΔvapH°	39.70 ± 0.10	kJ/mol	NIST
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	39.70 ± 0.10	kJ/mol	NIST
ΔvapH°	39.67	kJ/mol	NIST
ΔvapH°	Outlier 33.80 ± 0.08	kJ/mol	NIST
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2540.00; 2542.10]	kPa
Pc	2540.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2540.22	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2542.10	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2540.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2540.00	kPa	KDB
Pc	2540.00 ± 40.00	kPa	NIST
Pc	2541.90 ± 40.53	kPa	NIST
Ptriple	4.57e-08	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[239.88; 239.88]	kg/m3
ρc	239.88 ± 4.57	kg/m3	NIST
ρc	239.88 ± 4.57	kg/m3	NIST
Inp	[756.00; 777.73]
Inp	766.80		NIST
Inp	767.20		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	768.20		NIST
Inp	765.80		NIST
Inp	766.00		NIST
Inp	768.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	766.90		NIST
Inp	767.90		NIST
Inp	767.50		NIST
Inp	767.60		NIST
Inp	767.80		NIST
Inp	768.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	768.10		NIST
Inp	768.10		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	767.00		NIST
Inp	Outlier 757.00		NIST
Inp	768.00		NIST
Inp	767.00		NIST
Inp	767.20		NIST
Inp	768.10		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	765.00		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	769.00		NIST
Inp	767.50		NIST
Inp	769.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	767.50		NIST
Inp	767.50		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	771.00		NIST
Inp	771.00		NIST
Inp	769.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	764.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	765.60		NIST
Inp	770.00		NIST
Inp	768.40		NIST
Inp	762.88		NIST
Inp	763.26		NIST
Inp	Outlier 760.40		NIST
Inp	764.60		NIST
Inp	765.60		NIST
Inp	762.50		NIST
Inp	762.50		NIST
Inp	763.78		NIST
Inp	763.91		NIST
Inp	767.00		NIST
Inp	764.38		NIST
Inp	764.57		NIST
Inp	765.00		NIST
Inp	767.70		NIST
Inp	766.80		NIST
Inp	768.50		NIST
Inp	767.75		NIST
Inp	768.05		NIST
Inp	768.28		NIST
Inp	767.16		NIST
Inp	767.53		NIST
Inp	767.77		NIST
Inp	762.00		NIST
Inp	Outlier 777.73		NIST
Inp	Outlier 756.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	Outlier 759.00		NIST
Inp	768.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	765.90		NIST
Inp	765.00		NIST
Inp	770.00		NIST
Inp	769.00		NIST
Inp	767.00		NIST
Inp	762.00		NIST
Inp	768.00		NIST
Inp	767.00		NIST
Inp	769.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	764.00		NIST
Inp	770.00		NIST
Inp	770.00		NIST
Inp	Outlier 775.00		NIST
Inp	Outlier 775.00		NIST
Inp	Outlier 777.73		NIST
Inp	768.40		NIST
Inp	765.60		NIST
Inp	767.00		NIST
Inp	766.80		NIST
Inp	767.16		NIST
Ip	[764.00; 790.00]
Ip	764.00		NIST
Ip	768.00		NIST
Ip	790.00		NIST
Tboil	[390.65; 391.15]	K
Tboil	390.86	K	ChemSep v8.3 pure component data Compiled value
Tboil	390.87	K	KDB
Tboil	390.90	K	NIST
Tboil	390.90	K	NIST
Tboil	390.70 ± 2.00	K	NIST
Tboil	390.86 ± 0.20	K	NIST
Tboil	390.80 ± 0.20	K	NIST
Tboil	390.78 ± 0.20	K	NIST
Tboil	390.65 ± 0.50	K	NIST
Tboil	390.78 ± 0.15	K	NIST
Tboil	390.78 ± 0.30	K	NIST
Tboil	390.85 ± 0.01	K	NIST
Tboil	390.76 ± 0.30	K	NIST
Tboil	390.77 ± 0.20	K	NIST
Tboil	390.75 ± 0.50	K	NIST
Tboil	391.15 ± 2.00	K	NIST
Tboil	390.86 ± 0.20	K	NIST
Tboil	390.65 ± 0.60	K	NIST
Tboil	390.65 ± 0.30	K	NIST
Tboil	390.65 ± 0.30	K	NIST
Tboil	391.15 ± 0.60	K	NIST
Tboil	391.15 ± 0.40	K	NIST
Tboil	391.15 ± 0.20	K	NIST
Tboil	391.15 ± 1.00	K	NIST
Tboil	391.15 ± 2.00	K	NIST
Tc	[561.67; 561.74]	K
Tc	561.70	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	561.70	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 561.74	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	561.70	K	ChemSep v8.3 pure component data Compiled value
Tc	561.70	K	KDB
Tc	561.70 ± 0.50	K	NIST
Tc	561.70	K	NIST
Tc	561.67 ± 0.40	K	NIST
Tfus	[148.85; 152.19]	K
Tfus	152.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	152.19	K	ChemSep v8.3 pure component data Compiled value
Tfus	152.00	K	KDB
Tfus	152.06 ± 0.30	K	NIST
Tfus	152.06 ± 0.20	K	NIST
Tfus	152.16 ± 0.01	K	NIST
Tfus	152.17 ± 0.06	K	NIST
Tfus	152.17 ± 0.05	K	NIST
Tfus	152.19 ± 0.03	K	NIST
Tfus	151.98 ± 0.30	K	NIST
Tfus	Outlier 148.85 ± 2.00	K	NIST
Tfus	152.07 ± 0.15	K	NIST
Tfus	Outlier 148.85 ± 0.30	K	NIST
Ttriple	152.20	K	ChemSep v8.3 pure component data Compiled value
UQi	4.93		ChemSep v8.3 pure component data Compiled value
URi	5.85		ChemSep v8.3 pure component data Compiled value
Vc	[0.476; 0.476]	m3/kmol
Vc	0.476	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.476	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.476	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.476	m3/kmol	KDB
Vc	0.476	m3/kmol	NIST
Zc	[0.2588810; 0.2590000]
Zc	0.2590000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2590000		ChemSep v8.3 pure component data Compiled value
Zc	0.2588810		KDB
Zra	0.26		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	251.08	J/mol×K	298.15	NIST
Csat	[241.10; 257.60]	J/mol×K	[280.00; 310.00]
Csat	241.10	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	246.60	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	251.10	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	252.10	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	257.60	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
ΔfusH	[10.84; 10.84]	kJ/mol	[152.20; 152.20]
ΔfusH	10.84	kJ/mol	152.20	NIST
ΔfusH	10.84	kJ/mol	152.20	NIST
ΔvapH	[33.35; 42.30]	kJ/mol	[313.00; 390.90]
ΔvapH	38.70 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	42.30	kJ/mol	322.00	NIST
ΔvapH	37.40 ± 0.10	kJ/mol	333.00	NIST
ΔvapH	38.20	kJ/mol	352.00	NIST
ΔvapH	36.10 ± 0.10	kJ/mol	353.00	NIST
ΔvapH	33.89	kJ/mol	390.90	KDB
ΔvapH	33.35	kJ/mol	390.90	NIST
n0	1.39553		298.15	KDB
ρl	705.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.30; 508.26]	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			1.00250e+02
Coefficient B			-5.69740e+02
Coefficient C			6.35824e+00
Coefficient D			6.04060e-05
Coefficient E			-2.56610e-08
Temperature range, min.			150.00
Temperature range, max.			1500.00
Cp,gas	113.30	J/mol×K	150.00	Calculated Property
Cp,gas	188.04	J/mol×K	300.00	Calculated Property
Cp,gas	266.61	J/mol×K	450.00	Calculated Property
Cp,gas	329.70	J/mol×K	600.00	Calculated Property
Cp,gas	378.76	J/mol×K	750.00	Calculated Property
Cp,gas	417.21	J/mol×K	900.00	Calculated Property
Cp,gas	447.75	J/mol×K	1050.00	Calculated Property
Cp,gas	472.29	J/mol×K	1200.00	Calculated Property
Cp,gas	492.15	J/mol×K	1350.00	Calculated Property
Cp,gas	508.26	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[203.64; 409.84]	J/mol×K	[152.00; 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			1.23600e+02
Coefficient B			-1.87170e+01
Coefficient C			4.15924e+00
Coefficient D			2.03270e-03
Coefficient E			1.62180e-06
Temperature range, min.			152.00
Temperature range, max.			530.00
Cp,liquid	203.64	J/mol×K	152.00	Calculated Property
Cp,liquid	215.27	J/mol×K	194.00	Calculated Property
Cp,liquid	228.18	J/mol×K	236.00	Calculated Property
Cp,liquid	242.98	J/mol×K	278.00	Calculated Property
Cp,liquid	260.23	J/mol×K	320.00	Calculated Property
Cp,liquid	280.55	J/mol×K	362.00	Calculated Property
Cp,liquid	304.66	J/mol×K	404.00	Calculated Property
Cp,liquid	333.47	J/mol×K	446.00	Calculated Property
Cp,liquid	368.06	J/mol×K	488.00	Calculated Property
Cp,liquid	409.84	J/mol×K	530.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0135963; 0.0001859]	Pa×s	[152.20; 390.86]	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			-1.11100e+01
Coefficient B			1.06630e+03
Coefficient C			-3.93840e-02
Coefficient D			1.74550e-07
Coefficient E			2.00000e+00
Temperature range, min.			152.20
Temperature range, max.			390.86
η	0.0135963	Pa×s	152.20	Calculated Property
η	0.0047850	Pa×s	178.72	Calculated Property
η	0.0022054	Pa×s	205.24	Calculated Property
η	0.0012137	Pa×s	231.75	Calculated Property
η	0.0007552	Pa×s	258.27	Calculated Property
η	0.0005135	Pa×s	284.79	Calculated Property
η	0.0003730	Pa×s	311.31	Calculated Property
η	0.0002850	Pa×s	337.82	Calculated Property
η	0.0002266	Pa×s	364.34	Calculated Property
η	0.0001859	Pa×s	390.86	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[50.84; 14.70]	kJ/mol	[152.20; 540.15]	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			6.79717e+01
Coefficient B			1.15162e+00
Coefficient C			-8.35173e-01
Coefficient D			-1.71743e-01
Coefficient E			3.14726e-01
Critical temperature, Tc (K)			5.61700e+02
Temperature range, min.			152.20
Temperature range, max.			540.15
ΔvapH	50.84	kJ/mol	152.20	Calculated Property
ΔvapH	47.20	kJ/mol	195.31	Calculated Property
ΔvapH	43.93	kJ/mol	238.41	Calculated Property
ΔvapH	40.92	kJ/mol	281.52	Calculated Property
ΔvapH	38.06	kJ/mol	324.62	Calculated Property
ΔvapH	35.18	kJ/mol	367.73	Calculated Property
ΔvapH	32.04	kJ/mol	410.83	Calculated Property
ΔvapH	28.30	kJ/mol	453.94	Calculated Property
ΔvapH	23.25	kJ/mol	497.04	Calculated Property
ΔvapH	14.70	kJ/mol	540.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[284.21; 417.38]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43890e+01
Coefficient B			-3.39289e+03
Coefficient C			-4.36080e+01
Temperature range, min.			284.21
Temperature range, max.			417.38
Pvap	1.33	kPa	284.21	Calculated Property
Pvap	3.02	kPa	299.01	Calculated Property
Pvap	6.25	kPa	313.80	Calculated Property
Pvap	11.99	kPa	328.60	Calculated Property
Pvap	21.57	kPa	343.40	Calculated Property
Pvap	36.74	kPa	358.19	Calculated Property
Pvap	59.64	kPa	372.99	Calculated Property
Pvap	92.86	kPa	387.79	Calculated Property
Pvap	139.41	kPa	402.58	Calculated Property
Pvap	202.67	kPa	417.38	Calculated Property
Pvap	[4.85e-08; 2533.19]	kPa	[152.20; 561.70]	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			9.04307e+01
Coefficient B			-7.74271e+03
Coefficient C			-1.12595e+01
Coefficient D			7.84337e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 561.74 K.
Temperature range, min.			152.20
Temperature range, max.			561.70
Pvap	4.85e-08	kPa	152.20	Calculated Property
Pvap	3.52e-04	kPa	197.70	Calculated Property
Pvap	0.06	kPa	243.20	Calculated Property
Pvap	1.61	kPa	288.70	Calculated Property
Pvap	14.90	kPa	334.20	Calculated Property
Pvap	73.35	kPa	379.70	Calculated Property
Pvap	242.31	kPa	425.20	Calculated Property
Pvap	617.40	kPa	470.70	Calculated Property
Pvap	1324.35	kPa	516.20	Calculated Property
Pvap	2533.19	kPa	561.70	Calculated Property
Pvap	[4.80e-08; 2527.52]	kPa	[152.20; 561.74]	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			8.98808e+01
Coefficient B			-7.72965e+03
Coefficient C			-1.11685e+01
Coefficient D			7.67739e-06
Coefficient E			0.00000e+00
Temperature range, min.			152.20
Temperature range, max.			561.74
Pvap	4.80e-08	kPa	152.20	Calculated Property
Pvap	3.49e-04	kPa	197.70	Calculated Property
Pvap	0.06	kPa	243.21	Calculated Property
Pvap	1.61	kPa	288.71	Calculated Property
Pvap	14.91	kPa	334.22	Calculated Property
Pvap	73.48	kPa	379.72	Calculated Property
Pvap	242.88	kPa	425.23	Calculated Property
Pvap	618.52	kPa	470.73	Calculated Property
Pvap	1324.71	kPa	516.24	Calculated Property
Pvap	2527.52	kPa	561.74	Calculated Property
Pvap	[0.13; 101.27]	kPa	[252.80; 390.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39542e+01
Coefficient B			-3.10213e+03
Coefficient C			-5.85390e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			252.80
Temperature range, max.			390.80
Pvap	0.13	kPa	252.80	Calculated Property
Pvap	0.43	kPa	268.13	Calculated Property
Pvap	1.18	kPa	283.47	Calculated Property
Pvap	2.84	kPa	298.80	Calculated Property
Pvap	6.16	kPa	314.13	Calculated Property
Pvap	12.23	kPa	329.47	Calculated Property
Pvap	22.59	kPa	344.80	Calculated Property
Pvap	39.19	kPa	360.13	Calculated Property
Pvap	64.46	kPa	375.47	Calculated Property
Pvap	101.27	kPa	390.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[802.23; 244.11]	kg/m3	[152.15; 561.70]	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			4.71158e+01
Coefficient B			2.30070e-01
Coefficient C			5.61760e+02
Coefficient D			2.32290e-01
Comment			Range stopped at Tc; ChemSep gives it to 561.75 K.
Temperature range, min.			152.15
Temperature range, max.			561.70
ρl	802.23	kg/m3	152.15	Calculated Property
ρl	773.21	kg/m3	197.66	Calculated Property
ρl	742.47	kg/m3	243.16	Calculated Property
ρl	709.59	kg/m3	288.67	Calculated Property
ρl	673.96	kg/m3	334.17	Calculated Property
ρl	634.61	kg/m3	379.68	Calculated Property
ρl	589.89	kg/m3	425.18	Calculated Property
ρl	536.40	kg/m3	470.69	Calculated Property
ρl	464.89	kg/m3	516.19	Calculated Property
ρl	244.11	kg/m3	561.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 9.42e-04]	N/m	[152.20; 540.15]	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			-1.51240e-02
Coefficient B			1.18130e+01
Coefficient C			-2.89590e+00
Coefficient D			-7.03000e-04
Coefficient E			-3.00680e-06
Temperature range, min.			152.20
Temperature range, max.			540.15
γ	0.03	N/m	152.20	Calculated Property
γ	0.03	N/m	195.31	Calculated Property
γ	0.03	N/m	238.41	Calculated Property
γ	0.02	N/m	281.52	Calculated Property
γ	0.02	N/m	324.62	Calculated Property
γ	0.01	N/m	367.73	Calculated Property
γ	0.01	N/m	410.83	Calculated Property
γ	0.01	N/m	453.94	Calculated Property
γ	0.00	N/m	497.04	Calculated Property
γ	9.42e-04	N/m	540.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.09]	W/m×K	[152.20; 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			4.02740e-05
Coefficient B			1.12040e+00
Coefficient C			-1.64180e+02
Coefficient D			1.66050e+05
Temperature range, min.			152.20
Temperature range, max.			1000.00
λgas	0.00	W/m×K	152.20	Calculated Property
λgas	0.01	W/m×K	246.40	Calculated Property
λgas	0.01	W/m×K	340.60	Calculated Property
λgas	0.02	W/m×K	434.80	Calculated Property
λgas	0.04	W/m×K	529.00	Calculated Property
λgas	0.05	W/m×K	623.20	Calculated Property
λgas	0.06	W/m×K	717.40	Calculated Property
λgas	0.07	W/m×K	811.60	Calculated Property
λgas	0.08	W/m×K	905.80	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	[152.15; 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			-9.64830e-02
Coefficient B			1.23210e+01
Coefficient C			-1.36030e+00
Coefficient D			-3.12890e-04
Coefficient E			-1.21860e-06
Temperature range, min.			152.15
Temperature range, max.			503.15
λliquid	0.16	W/m×K	152.15	Calculated Property
λliquid	0.15	W/m×K	191.15	Calculated Property
λliquid	0.14	W/m×K	230.15	Calculated Property
λliquid	0.13	W/m×K	269.15	Calculated Property
λliquid	0.12	W/m×K	308.15	Calculated Property
λliquid	0.11	W/m×K	347.15	Calculated Property
λliquid	0.10	W/m×K	386.15	Calculated Property
λliquid	0.09	W/m×K	425.15	Calculated Property
λliquid	0.08	W/m×K	464.15	Calculated Property
λliquid	0.07	W/m×K	503.15	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 4-methyl-.

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.
• Cheméo Relay (1.0)
• 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
• Crippen Method
• Joback Method
• KDB
• 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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