Heptane, 3-methyl- (CAS 589-81-1)

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Physical Properties

Property	Value	Unit	Source
ω	[0.3694; 0.3712]
ω	0.3712		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3694		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3710		ChemSep v8.3 pure component data Compiled value
ω	0.3700		KDB
AP	345.350	K	KDB
Δ_cH°_liquid	-5468.20 ± 1.30	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
Δ_fG°	[12.75; 13.73]	kJ/mol
Δ_fG°	12.75	kJ/mol	ChemSep v8.3 pure component data Compiled value
Δ_fG°	13.73	kJ/mol	KDB
Δ_c,grossH	5468.15	kJ/mol	KDB
Δ_c,netH	5072.012	kJ/mol	KDB
Δ_fH°_gas	[-212.80; -212.51]	kJ/mol
Δ_fH°_gas	-212.51	kJ/mol	ChemSep v8.3 pure component data Compiled value
Δ_fH°_gas	-212.80	kJ/mol	KDB
Δ_fH°_gas	-212.60 ± 1.10	kJ/mol	NIST
Δ_fH°_liquid	-252.50 ± 1.10	kJ/mol	NIST
Δ_fusH°	12.95	kJ/mol	Joback Calculated Property
Δ_vapH°	[39.80; 39.88]	kJ/mol
Δ_vapH°	Outlier 39.88	kJ/mol	NIST
Δ_vapH°	39.80 ± 0.20	kJ/mol	NIST
Δ_vapH°	39.80	kJ/mol	NIST
Δ_vapH°	39.80 ± 0.10	kJ/mol	NIST
Δ_vapH°	39.83	kJ/mol	NIST
Δ_vapH°	39.80 ± 0.10	kJ/mol	NIST
Δ_vapH°	39.83	kJ/mol	NIST
IE	9.79	eV	Relay (1.0) Calculated Property
log₁₀WS	[-5.16; -5.16]
log₁₀WS	-5.16		Aq. Solubility Prediction
log₁₀WS	-5.16		Estimated Solubility
logP_oct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
P_c	[2546.00; 2550.35]	kPa
P_c	2550.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
P_c	2550.35	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
P_c	2546.23	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
P_c	2550.00	kPa	ChemSep v8.3 pure component data Compiled value
P_c	2550.00	kPa	KDB
P_c	2550.00 ± 40.00	kPa	NIST
P_c	2546.00 ± 40.53	kPa	NIST
P_triple	5.23e-08	kPa	ChemSep v8.3 pure component data Compiled value
ρ_c	[245.59; 245.59]	kg/m³
ρ_c	245.59 ± 4.57	kg/m³	NIST
ρ_c	245.59 ± 4.57	kg/m³	NIST
I_np	[762.00; 784.63]
I_np	773.80		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	Outlier 763.50		NIST
I_np	771.90		NIST
I_np	776.60		NIST
I_np	778.00		NIST
I_np	772.00		NIST
I_np	774.00		NIST
I_np	775.00		NIST
I_np	774.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	774.00		NIST
I_np	772.00		NIST
I_np	772.80		NIST
I_np	773.30		NIST
I_np	773.50		NIST
I_np	773.90		NIST
I_np	774.10		NIST
I_np	772.00		NIST
I_np	772.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	773.00		NIST
I_np	774.00		NIST
I_np	774.20		NIST
I_np	774.30		NIST
I_np	773.00		NIST
I_np	774.00		NIST
I_np	774.00		NIST
I_np	773.00		NIST
I_np	Outlier 762.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	774.00		NIST
I_np	775.00		NIST
I_np	772.60		NIST
I_np	773.00		NIST
I_np	772.80		NIST
I_np	773.00		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	772.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	775.11		NIST
I_np	775.75		NIST
I_np	776.18		NIST
I_np	774.38		NIST
I_np	774.76		NIST
I_np	773.00		NIST
I_np	774.00		NIST
I_np	774.00		NIST
I_np	774.00		NIST
I_np	772.00		NIST
I_np	770.00		NIST
I_np	771.00		NIST
I_np	771.00		NIST
I_np	771.00		NIST
I_np	772.00		NIST
I_np	772.20		NIST
I_np	775.00		NIST
I_np	774.00		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	773.00		NIST
I_np	775.00		NIST
I_np	770.00		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	772.00		NIST
I_np	772.00		NIST
I_np	772.00		NIST
I_np	774.00		NIST
I_np	773.00		NIST
I_np	773.50		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	774.00		NIST
I_np	774.00		NIST
I_np	774.00		NIST
I_np	769.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	773.00		NIST
I_np	770.00		NIST
I_np	769.00		NIST
I_np	769.00		NIST
I_np	771.70		NIST
I_np	776.00		NIST
I_np	773.00		NIST
I_np	Outlier 783.00		NIST
I_np	774.30		NIST
I_np	769.27		NIST
I_np	769.73		NIST
I_np	Outlier 764.58		NIST
I_np	770.80		NIST
I_np	772.10		NIST
I_np	768.70		NIST
I_np	769.00		NIST
I_np	770.31		NIST
I_np	771.67		NIST
I_np	770.68		NIST
I_np	770.98		NIST
I_np	771.00		NIST
I_np	771.00		NIST
I_np	773.70		NIST
I_np	773.30		NIST
I_np	772.90		NIST
I_np	773.42		NIST
I_np	773.79		NIST
I_np	774.07		NIST
I_np	773.02		NIST
I_np	773.47		NIST
I_np	773.76		NIST
I_np	769.00		NIST
I_np	Outlier 767.00		NIST
I_np	Outlier 784.63		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	774.00		NIST
I_np	774.00		NIST
I_np	773.00		NIST
I_np	Outlier 765.00		NIST
I_np	775.00		NIST
I_np	771.00		NIST
I_np	774.00		NIST
I_np	772.20		NIST
I_np	773.00		NIST
I_np	775.00		NIST
I_np	770.00		NIST
I_np	777.00		NIST
I_np	Outlier 767.00		NIST
I_np	774.00		NIST
I_np	772.00		NIST
I_np	775.00		NIST
I_np	773.00		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	773.00		NIST
I_np	771.00		NIST
I_np	773.00		NIST
I_np	772.00		NIST
I_np	Outlier 766.00		NIST
I_np	775.00		NIST
I_np	769.00		NIST
I_np	774.00		NIST
I_np	777.00		NIST
I_np	Outlier 779.00		NIST
I_np	777.00		NIST
I_np	Outlier 779.00		NIST
I_np	773.00		NIST
I_np	Outlier 764.58		NIST
I_np	770.31		NIST
I_np	771.00		NIST
I_np	773.79		NIST
I_np	769.00		NIST
I_p	[764.00; 764.00]
I_p	764.00		NIST
I_p	764.00		NIST
S°_gas	465.89 ± 0.84	J/mol×K	NIST
S°_liquid	362.60	J/mol×K	NIST
T_boil	[388.15; 392.25]	K
T_boil	392.08	K	ChemSep v8.3 pure component data Compiled value
T_boil	392.09	K	KDB
T_boil	392.10	K	NIST
T_boil	391.70 ± 1.00	K	NIST
T_boil	392.00 ± 2.00	K	NIST
T_boil	390.00 ± 2.00	K	NIST
T_boil	392.08 ± 0.20	K	NIST
T_boil	391.95 ± 0.30	K	NIST
T_boil	390.85 ± 0.30	K	NIST
T_boil	Outlier 388.15 ± 3.00	K	NIST
T_boil	391.95 ± 0.40	K	NIST
T_boil	392.10 ± 0.30	K	NIST
T_boil	392.11 ± 0.20	K	NIST
T_boil	392.04 ± 0.30	K	NIST
T_boil	391.75 ± 0.50	K	NIST
T_boil	392.04 ± 0.15	K	NIST
T_boil	392.04 ± 0.30	K	NIST
T_boil	392.07 ± 0.01	K	NIST
T_boil	392.07 ± 0.10	K	NIST
T_boil	392.25 ± 0.50	K	NIST
T_boil	392.25 ± 0.20	K	NIST
T_boil	392.25 ± 0.60	K	NIST
T_boil	392.25 ± 0.30	K	NIST
T_boil	392.20 ± 0.30	K	NIST
T_boil	390.95 ± 1.00	K	NIST
T_boil	392.25 ± 0.20	K	NIST
T_boil	390.75 ± 0.60	K	NIST
T_boil	391.75 ± 1.00	K	NIST
T_boil	391.15 ± 2.00	K	NIST
T_boil	390.75 ± 0.50	K	NIST
T_c	[563.60; 563.70]	K
T_c	563.60	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
T_c	563.60	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
T_c	563.67	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
T_c	563.60	K	ChemSep v8.3 pure component data Compiled value
T_c	563.60	K	KDB
T_c	563.60 ± 0.50	K	NIST
T_c	Outlier 563.70	K	NIST
T_c	563.60 ± 0.40	K	NIST
T_fus	[144.35; 152.65]	K
T_fus	152.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
T_fus	152.65	K	ChemSep v8.3 pure component data Compiled value
T_fus	152.60	K	KDB
T_fus	152.59 ± 0.04	K	NIST
T_fus	152.59 ± 0.03	K	NIST
T_fus	152.60 ± 0.02	K	NIST
T_fus	151.05 ± 1.00	K	NIST
T_fus	151.15 ± 1.50	K	NIST
T_fus	152.38 ± 0.20	K	NIST
T_fus	Outlier 144.35 ± 0.30	K	NIST
T_fus	152.35 ± 0.20	K	NIST
T_fus	152.55 ± 0.01	K	NIST
T_fus	152.56 ± 0.09	K	NIST
T_fus	152.58 ± 0.07	K	NIST
T_fus	152.65 ± 0.05	K	NIST
T_fus	152.35 ± 0.30	K	NIST
T_fus	152.35 ± 0.60	K	NIST
T_fus	152.35 ± 0.20	K	NIST
T_fus	150.60 ± 0.30	K	NIST
T_triple	[152.60; 152.65]	K
T_triple	152.60	K	ChemSep v8.3 pure component data Compiled value
T_triple	152.65 ± 0.01	K	NIST
T_triple	152.65 ± 0.01	K	NIST
U_Qi	4.93		ChemSep v8.3 pure component data Compiled value
U_Ri	5.85		ChemSep v8.3 pure component data Compiled value
V_c	[0.464; 0.471]	m³/kmol
V_c	0.464	m³/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
V_c	0.464	m³/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
V_c	0.471	m³/kmol	ChemSep v8.3 pure component data Compiled value
V_c	0.464	m³/kmol	KDB
V_c	0.464	m³/kmol	NIST
Z_c	[0.2524940; 0.2530000]
Z_c	0.2530000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Z_c	0.2530000		ChemSep v8.3 pure component data Compiled value
Z_c	0.2524940		KDB
Z_ra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[249.66; 250.20]	J/mol×K	[298.15; 298.15]
C_p,liquid	250.20	J/mol×K	298.15	NIST
C_p,liquid	249.66	J/mol×K	298.15	NIST
C_sat	[205.00; 291.10]	J/mol×K	[160.00; 380.00]

C_sat	205.00	J/mol×K	160.00	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
C_sat	206.90	J/mol×K	170.00	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
C_sat	209.00	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
C_sat	211.40	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
C_sat	214.00	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
C_sat	216.90	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
C_sat	219.90	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
C_sat	223.10	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
C_sat	226.60	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
C_sat	230.20	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
C_sat	234.00	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
C_sat	237.90	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
C_sat	239.20	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
C_sat	242.10	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
C_sat	246.40	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
C_sat	250.00	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
C_sat	250.80	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
C_sat	255.40	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
C_sat	260.20	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
C_sat	265.00	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
C_sat	270.00	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
C_sat	275.10	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
C_sat	280.30	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
C_sat	285.70	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
C_sat	291.10	J/mol×K	380.00	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
Δ_fusH	[11.67; 11.70]	kJ/mol	[152.60; 152.60]
Δ_fusH	11.67	kJ/mol	152.60	NIST
Δ_fusH	11.70	kJ/mol	152.60	NIST
Δ_vapH	[33.66; 41.60]	kJ/mol	[262.00; 392.10]

Δ_vapH	41.60	kJ/mol	262.00	NIST
Δ_vapH	40.10	kJ/mol	339.50	NIST
Δ_vapH	38.30	kJ/mol	354.50	NIST
Δ_vapH	33.89	kJ/mol	392.10	KDB
Δ_vapH	33.66	kJ/mol	392.10	NIST
n₀	1.39610		298.15	KDB
ρ_l	[689.93; 706.37]	kg/m³	[293.00; 313.15]

ρ_l	706.00	kg/m³	293.00	KDB
ρ_l	706.37	kg/m³	293.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρ_l	702.30	kg/m³	298.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρ_l	698.20	kg/m³	303.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρ_l	694.08	kg/m³	308.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρ_l	689.93	kg/m³	313.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
γ	0.02	N/m	298.20	KDB
λ_liquid	[0.11; 0.13]	W/m×K	[259.08; 332.51]

λ_liquid	0.13	W/m×K	259.08	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.13	W/m×K	259.32	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.13	W/m×K	259.58	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.12	W/m×K	277.99	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.12	W/m×K	278.23	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.12	W/m×K	278.37	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.12	W/m×K	297.36	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.12	W/m×K	297.63	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.11	W/m×K	297.91	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.11	W/m×K	315.56	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.11	W/m×K	315.84	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.11	W/m×K	316.12	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.11	W/m×K	331.93	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.11	W/m×K	332.21	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λ_liquid	0.11	W/m×K	332.51	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[115.04; 508.52]	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 C_p,gas in J/mol×K, T in K
Coefficient A			1.03080e+02
Coefficient B			-5.83420e+02
Coefficient C			6.36324e+00
Coefficient D			5.23480e-05
Coefficient E			-2.12600e-08
Temperature range, min.			150.00
Temperature range, max.			1500.00

C_p,gas	115.04	J/mol×K	150.00	Calculated Property
C_p,gas	187.20	J/mol×K	300.00	Calculated Property
C_p,gas	264.82	J/mol×K	450.00	Calculated Property
C_p,gas	327.75	J/mol×K	600.00	Calculated Property
C_p,gas	376.95	J/mol×K	750.00	Calculated Property
C_p,gas	415.67	J/mol×K	900.00	Calculated Property
C_p,gas	446.56	J/mol×K	1050.00	Calculated Property
C_p,gas	471.52	J/mol×K	1200.00	Calculated Property
C_p,gas	491.86	J/mol×K	1350.00	Calculated Property
C_p,gas	508.52	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[196.71; 371.53]	J/mol×K	[107.25; 500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is C_p,liquid in J/mol×K, T in K
Coefficient A			1.37930e+02
Coefficient B			5.03290e+01
Coefficient C			2.99504e+00
Coefficient D			5.94670e-03
Coefficient E			-2.46180e-06
Temperature range, min.			107.25
Temperature range, max.			500.00

C_p,liquid	196.71	J/mol×K	107.25	Calculated Property
C_p,liquid	202.63	J/mol×K	150.89	Calculated Property
C_p,liquid	212.92	J/mol×K	194.53	Calculated Property
C_p,liquid	226.43	J/mol×K	238.17	Calculated Property
C_p,liquid	242.93	J/mol×K	281.81	Calculated Property
C_p,liquid	262.43	J/mol×K	325.44	Calculated Property
C_p,liquid	285.00	J/mol×K	369.08	Calculated Property
C_p,liquid	310.70	J/mol×K	412.72	Calculated Property
C_p,liquid	339.57	J/mol×K	456.36	Calculated Property
C_p,liquid	371.53	J/mol×K	500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0139781; 0.0001449]	Pa×s	[152.60; 450.88]	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			-7.38170e+00
Coefficient B			9.76230e+02
Coefficient C			-6.63350e-01
Coefficient D			2.11830e-06
Coefficient E			2.00000e+00
Temperature range, min.			152.60
Temperature range, max.			450.88

η	0.0139781	Pa×s	152.60	Calculated Property
η	0.0040124	Pa×s	185.74	Calculated Property
η	0.0016704	Pa×s	218.88	Calculated Property
η	0.0008747	Pa×s	252.03	Calculated Property
η	0.0005335	Pa×s	285.17	Calculated Property
η	0.0003623	Pa×s	318.31	Calculated Property
η	0.0002663	Pa×s	351.45	Calculated Property
η	0.0002079	Pa×s	384.60	Calculated Property
η	0.0001702	Pa×s	417.74	Calculated Property
η	0.0001449	Pa×s	450.88	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Δ_vapH	[50.41; 13.20]	kJ/mol	[152.60; 548.00]	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 Δ_vapH in kJ/mol, T in K
Coefficient A			6.89902e+01
Coefficient B			1.39863e+00
Coefficient C			-1.77166e+00
Coefficient D			1.09372e+00
Coefficient E			-2.70846e-01
Critical temperature, Tc (K)			5.63600e+02
Temperature range, min.			152.60
Temperature range, max.			548.00

Δ_vapH	50.41	kJ/mol	152.60	Calculated Property
Δ_vapH	46.85	kJ/mol	196.53	Calculated Property
Δ_vapH	43.70	kJ/mol	240.47	Calculated Property
Δ_vapH	40.79	kJ/mol	284.40	Calculated Property
Δ_vapH	37.95	kJ/mol	328.33	Calculated Property
Δ_vapH	35.02	kJ/mol	372.27	Calculated Property
Δ_vapH	31.79	kJ/mol	416.20	Calculated Property
Δ_vapH	27.91	kJ/mol	460.13	Calculated Property
Δ_vapH	22.67	kJ/mol	504.07	Calculated Property
Δ_vapH	13.20	kJ/mol	548.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.63]	kPa	[285.09; 418.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.43862e+01
Coefficient B			-3.40203e+03
Coefficient C			-4.37910e+01
Temperature range, min.			285.09
Temperature range, max.			418.68

P_vap	1.33	kPa	285.09	Calculated Property
P_vap	3.02	kPa	299.93	Calculated Property
P_vap	6.25	kPa	314.78	Calculated Property
P_vap	11.99	kPa	329.62	Calculated Property
P_vap	21.57	kPa	344.46	Calculated Property
P_vap	36.73	kPa	359.31	Calculated Property
P_vap	59.63	kPa	374.15	Calculated Property
P_vap	92.85	kPa	388.99	Calculated Property
P_vap	139.39	kPa	403.84	Calculated Property
P_vap	202.63	kPa	418.68	Calculated Property
P_vap	[5.41e-08; 2531.72]	kPa	[152.60; 563.60]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is P_vap in kPa, T in K
Coefficient A			8.78596e+01
Coefficient B			-7.65254e+03
Coefficient C			-1.08633e+01
Coefficient D			7.45052e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 563.67 K.
Temperature range, min.			152.60
Temperature range, max.			563.60

P_vap	5.41e-08	kPa	152.60	Calculated Property
P_vap	3.68e-04	kPa	198.27	Calculated Property
P_vap	0.06	kPa	243.93	Calculated Property
P_vap	1.62	kPa	289.60	Calculated Property
P_vap	14.92	kPa	335.27	Calculated Property
P_vap	73.37	kPa	380.93	Calculated Property
P_vap	242.46	kPa	426.60	Calculated Property
P_vap	618.01	kPa	472.27	Calculated Property
P_vap	1325.33	kPa	517.93	Calculated Property
P_vap	2531.72	kPa	563.60	Calculated Property
P_vap	[4.80e-08; 2539.44]	kPa	[152.60; 563.67]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is P_vap in kPa, T in K
Coefficient A			9.08909e+01
Coefficient B			-7.77747e+03
Coefficient C			-1.13291e+01
Coefficient D			7.90061e-06
Coefficient E			0.00000e+00
Temperature range, min.			152.60
Temperature range, max.			563.67

P_vap	4.80e-08	kPa	152.60	Calculated Property
P_vap	3.52e-04	kPa	198.27	Calculated Property
P_vap	0.06	kPa	243.95	Calculated Property
P_vap	1.62	kPa	289.62	Calculated Property
P_vap	14.95	kPa	335.30	Calculated Property
P_vap	73.51	kPa	380.97	Calculated Property
P_vap	242.62	kPa	426.65	Calculated Property
P_vap	618.02	kPa	472.32	Calculated Property
P_vap	1326.19	kPa	518.00	Calculated Property
P_vap	2539.44	kPa	563.67	Calculated Property
P_vap	[0.04; 1.47]	kPa	[238.00; 288.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.49955e+01
Coefficient B			-3.61257e+03
Coefficient C			-4.06860e+01
Reference			Osborn and Douslin, 1974
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			238.00
Temperature range, max.			288.00

P_vap	0.04	kPa	238.00	Calculated Property
P_vap	0.06	kPa	243.56	Calculated Property
P_vap	0.10	kPa	249.11	Calculated Property
P_vap	0.15	kPa	254.67	Calculated Property
P_vap	0.23	kPa	260.22	Calculated Property
P_vap	0.35	kPa	265.78	Calculated Property
P_vap	0.51	kPa	271.33	Calculated Property
P_vap	0.74	kPa	276.89	Calculated Property
P_vap	1.05	kPa	282.44	Calculated Property
P_vap	1.47	kPa	288.00	Calculated Property
P_vap	[6.43; 104.38]	kPa	[315.82; 392.96]	NIST
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.38716e+01
Coefficient B			-3.06596e+03
Coefficient C			-6.05550e+01
Reference			Williamham, Taylor, et al., 1945
Temperature range, min.			315.82
Temperature range, max.			392.96

P_vap	6.43	kPa	315.82	Calculated Property
P_vap	9.50	kPa	324.39	Calculated Property
P_vap	13.69	kPa	332.96	Calculated Property
P_vap	19.29	kPa	341.53	Calculated Property
P_vap	26.65	kPa	350.10	Calculated Property
P_vap	36.14	kPa	358.68	Calculated Property
P_vap	48.17	kPa	367.25	Calculated Property
P_vap	63.21	kPa	375.82	Calculated Property
P_vap	81.77	kPa	384.39	Calculated Property
P_vap	104.38	kPa	392.96	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρ_l	[799.84; 257.34]	kg/m³	[152.60; 563.60]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρ_l in kg/m³, T in K
Coefficient A			5.57070e+01
Coefficient B			2.50640e-01
Coefficient C			5.63660e+02
Coefficient D			2.45440e-01
Comment			Range stopped at Tc; ChemSep gives it to 563.65 K.
Temperature range, min.			152.60
Temperature range, max.			563.60

ρ_l	799.84	kg/m³	152.60	Calculated Property
ρ_l	771.18	kg/m³	198.27	Calculated Property
ρ_l	740.86	kg/m³	243.93	Calculated Property
ρ_l	708.48	kg/m³	289.60	Calculated Property
ρ_l	673.44	kg/m³	335.27	Calculated Property
ρ_l	634.82	kg/m³	380.93	Calculated Property
ρ_l	591.00	kg/m³	426.60	Calculated Property
ρ_l	538.74	kg/m³	472.27	Calculated Property
ρ_l	469.11	kg/m³	517.93	Calculated Property
ρ_l	257.34	kg/m³	563.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.00]	N/m	[152.60; 541.97]	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			-1.01320e-02
Coefficient B			1.85110e+01
Coefficient C			-3.09710e+00
Coefficient D			-8.75810e-05
Coefficient E			-4.69280e-06
Temperature range, min.			152.60
Temperature range, max.			541.97

γ	0.03	N/m	152.60	Calculated Property
γ	0.03	N/m	195.86	Calculated Property
γ	0.03	N/m	239.13	Calculated Property
γ	0.02	N/m	282.39	Calculated Property
γ	0.02	N/m	325.65	Calculated Property
γ	0.01	N/m	368.92	Calculated Property
γ	0.01	N/m	412.18	Calculated Property
γ	0.01	N/m	455.44	Calculated Property
γ	0.00	N/m	498.71	Calculated Property
γ	0.00	N/m	541.97	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ_gas	[0.00; 0.09]	W/m×K	[152.60; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ_gas in W/m×K, T in K
Coefficient A			4.25350e-05
Coefficient B			1.11380e+00
Coefficient C			-1.51710e+02
Coefficient D			1.68420e+05
Temperature range, min.			152.60
Temperature range, max.			1000.00

λ_gas	0.00	W/m×K	152.60	Calculated Property
λ_gas	0.01	W/m×K	246.76	Calculated Property
λ_gas	0.01	W/m×K	340.91	Calculated Property
λ_gas	0.02	W/m×K	435.07	Calculated Property
λ_gas	0.03	W/m×K	529.22	Calculated Property
λ_gas	0.05	W/m×K	623.38	Calculated Property
λ_gas	0.06	W/m×K	717.53	Calculated Property
λ_gas	0.07	W/m×K	811.69	Calculated Property
λ_gas	0.08	W/m×K	905.84	Calculated Property
λ_gas	0.09	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ_liquid	[0.16; 0.07]	W/m×K	[152.60; 503.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ_liquid in W/m×K, T in K
Coefficient A			-4.31610e-02
Coefficient B			2.27060e+01
Coefficient C			-1.68290e+00
Coefficient D			-6.37350e-05
Coefficient E			-2.04840e-06
Temperature range, min.			152.60
Temperature range, max.			503.15

λ_liquid	0.16	W/m×K	152.60	Calculated Property
λ_liquid	0.15	W/m×K	191.55	Calculated Property
λ_liquid	0.14	W/m×K	230.50	Calculated Property
λ_liquid	0.13	W/m×K	269.45	Calculated Property
λ_liquid	0.12	W/m×K	308.40	Calculated Property
λ_liquid	0.11	W/m×K	347.35	Calculated Property
λ_liquid	0.10	W/m×K	386.30	Calculated Property
λ_liquid	0.09	W/m×K	425.25	Calculated Property
λ_liquid	0.08	W/m×K	464.20	Calculated Property
λ_liquid	0.07	W/m×K	503.15	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3-methyl-.

Mixtures

(3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene + Heptane, 3-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
Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
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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Chemical Properties of Heptane, 3-methyl- (CAS 589-81-1)