Heptadecane (CAS 629-78-7)

InChI

InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

InChI Key

NDJKXXJCMXVBJW-UHFFFAOYSA-N

Formula

C17H36

SMILES

CCCCCCCCCCCCCCCCC

Molecular Weight¹

240.47

CAS

629-78-7

Other Names

Normal-heptadecane
n-heptadecane

ω : Acentric Factor.
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).
η : Dynamic viscosity (Pa×s).
Δ_fG° : Standard Gibbs free energy of formation (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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
Δ_subH : Enthalpy of sublimation 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_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.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
T_boil : Normal Boiling Point Temperature (K).
T_boilr : Boiling point at reduced pressure (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
T_triple : Triple Point Temperature (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.7606		Relay (1.0) Calculated Property
Δ_cH°_liquid	-11351.20 ± 2.20	kJ/mol	NIST
Δ_fG°	92.26	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-393.90 ± 2.40	kJ/mol	NIST
Δ_fH°_liquid	-479.50 ± 2.40	kJ/mol	NIST
Δ_fusH°	39.79	kJ/mol	Joback Calculated Property
Δ_subH°	125.10	kJ/mol	NIST
Δ_vapH°	[86.00; 86.50]	kJ/mol
Δ_vapH°	86.02	kJ/mol	NIST
Δ_vapH°	86.50	kJ/mol	NIST
Δ_vapH°	86.00 ± 0.80	kJ/mol	NIST
Δ_vapH°	86.20	kJ/mol	NIST
IE	9.81	eV	Relay (1.0) Calculated Property
log₁₀WS	-7.86		Relay (1.0) Calculated Property
logP_oct/wat	6.878		Crippen Calculated Property
McVol	250.390	ml/mol	McGowan Calculated Property
P_c	[1300.00; 1342.00]	kPa
P_c	1300.00 ± 200.00	kPa	NIST
P_c	1320.00 ± 40.00	kPa	NIST
P_c	1342.00 ± 160.00	kPa	NIST
ρ_c	[216.42; 218.10]	kg/m³
ρ_c	216.42 ± 48.09	kg/m³	NIST
ρ_c	218.10 ± 4.81	kg/m³	NIST
I_np	[282.99; 287.19]
I_np	282.99		NIST
I_np	287.19		NIST
S°_liquid	652.24	J/mol×K	NIST
T_boil	[561.65; 575.00]	K
T_boil	575.00	K	NIST
T_boil	574.25 ± 0.70	K	NIST
T_boil	563.15 ± 2.00	K	NIST
T_boil	561.65 ± 1.50	K	NIST
T_boil	561.65 ± 2.00	K	NIST
T_c	[725.30; 736.00]	K
T_c	736.00 ± 2.00	K	NIST
T_c	731.10 ± 3.00	K	NIST
T_c	Outlier 725.30 ± 1.60	K	NIST
T_c	735.90 ± 1.00	K	NIST
T_c	735.60	K	NIST
T_c	736.00 ± 3.00	K	NIST
T_c	736.00 ± 5.00	K	NIST
T_fus	[294.00; 301.00]	K
T_fus	295.35	K	High pressure phase equilibria in methane +waxy systems 1. Methane + heptadecane
T_fus	294.95 ± 0.50	K	NIST
T_fus	295.00 ± 2.00	K	NIST
T_fus	Outlier 301.00 ± 5.00	K	NIST
T_fus	294.90 ± 0.30	K	NIST
T_fus	295.11 ± 0.02	K	NIST
T_fus	295.11 ± 0.02	K	NIST
T_fus	295.13 ± 0.01	K	NIST
T_fus	295.13 ± 0.01	K	NIST
T_fus	295.15 ± 1.00	K	NIST
T_fus	295.11 ± 0.06	K	NIST
T_fus	295.13 ± 0.03	K	NIST
T_fus	295.10 ± 0.10	K	NIST
T_fus	295.01 ± 0.15	K	NIST
T_fus	295.08 ± 0.20	K	NIST
T_fus	295.00 ± 0.20	K	NIST
T_fus	295.00 ± 0.20	K	NIST
T_fus	294.87 ± 0.20	K	NIST
T_fus	294.40 ± 0.50	K	NIST
T_fus	294.40 ± 0.20	K	NIST
T_fus	294.39 ± 0.20	K	NIST
T_fus	295.09 ± 0.20	K	NIST
T_fus	294.00 ± 2.00	K	NIST
T_fus	295.00 ± 3.00	K	NIST
T_fus	296.00 ± 2.00	K	NIST
T_fus	296.00 ± 2.00	K	NIST
T_fus	295.40 ± 2.00	K	NIST
T_fus	295.70 ± 2.00	K	NIST
T_fus	295.00 ± 4.00	K	NIST
T_fus	295.70 ± 2.00	K	NIST
T_triple	[295.14; 295.14]	K
T_triple	295.14 ± 0.04	K	NIST
T_triple	295.14 ± 0.04	K	NIST
V_c	1.103	m³/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[667.07; 773.75]	J/mol×K	[588.56; 747.25]

C_p,gas	667.07	J/mol×K	588.56	Joback Calculated Property
C_p,gas	686.70	J/mol×K	615.01	Joback Calculated Property
C_p,gas	705.56	J/mol×K	641.46	Joback Calculated Property
C_p,gas	723.67	J/mol×K	667.91	Joback Calculated Property
C_p,gas	741.06	J/mol×K	694.35	Joback Calculated Property
C_p,gas	757.75	J/mol×K	720.80	Joback Calculated Property
C_p,gas	773.75	J/mol×K	747.25	Joback Calculated Property
C_p,liquid	534.34	J/mol×K	298.15	NIST
C_sat	[534.10; 593.30]	J/mol×K	[300.00; 380.00]

C_sat	534.10	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
C_sat	540.50	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	547.10	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
C_sat	554.10	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
C_sat	561.30	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
C_sat	568.90	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	576.70	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	584.90	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	593.30	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
η	[0.0001370; 0.0047502]	Pa×s	[281.35; 588.56]

η	0.0047502	Pa×s	281.35	Joback Calculated Property
η	0.0016692	Pa×s	332.55	Joback Calculated Property
η	0.0007753	Pa×s	383.75	Joback Calculated Property
η	0.0004314	Pa×s	434.95	Joback Calculated Property
η	0.0002716	Pa×s	486.16	Joback Calculated Property
η	0.0001867	Pa×s	537.36	Joback Calculated Property
η	0.0001370	Pa×s	588.56	Joback Calculated Property
Δ_fusH	[10.96; 40.17]	kJ/mol	[284.30; 295.10]
Δ_fusH	10.96	kJ/mol	284.30	NIST
Δ_fusH	39.40	kJ/mol	294.70	NIST
Δ_fusH	40.17	kJ/mol	295.10	NIST
Δ_fusH	40.17	kJ/mol	295.10	NIST
Δ_subH	[131.00; 131.50]	kJ/mol	[288.00; 290.50]
Δ_subH	131.50 ± 4.60	kJ/mol	288.00	NIST
Δ_subH	131.00 ± 13.00	kJ/mol	290.50	NIST
Δ_vapH	[62.90; 91.10]	kJ/mol	[304.50; 532.50]
Δ_vapH	91.10	kJ/mol	304.50	NIST
Δ_vapH	71.60	kJ/mol	457.50	NIST
Δ_vapH	62.90	kJ/mol	532.50	NIST
n₀	[1.42680; 1.43620]		[293.10; 318.15]
n₀	1.43620		293.10	Liquid liquid equilibria for n-alkanes (C12, C14, C17) + propylbenzene +NMP mixtures at temperatures between 298 and 328K
n₀	1.43620		293.10	Extraction of pentylbenzene from high molar mass alkanes (C14 and C17) by N-methyl-2-pyrrolidone
n₀	1.42680		318.15	Thermodynamic properties of (an ester + an alkane). XVI. Experimental HEm and V Em values and a new correlation method for (an alkyl ethanoate + an n-alkane) at 318.15 K
ρ_l	[723.00; 771.02]	kg/m³	[303.15; 373.15]

ρ_l	771.02	kg/m³	303.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
ρ_l	764.16	kg/m³	313.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
ρ_l	757.30	kg/m³	323.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
ρ_l	750.45	kg/m³	333.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
ρ_l	743.70	kg/m³	343.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
ρ_l	736.80	kg/m³	353.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
ρ_l	729.80	kg/m³	363.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
ρ_l	723.00	kg/m³	373.15	Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of Butylbenzene + Linear Alkanes (n-Decane, n-Dodecane, n-Tetradecane, n-Hexadecane, or n-Heptadecane) at 0.1 MPa
Δ_fusS	[38.56; 136.11]	J/mol×K	[284.30; 295.10]
Δ_fusS	38.56	J/mol×K	284.30	NIST
Δ_fusS	136.11	J/mol×K	295.10	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	434.90	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.64]	kPa	[436.10; 609.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46994e+01
Coefficient B			-4.66990e+03
Coefficient C			-1.12064e+02
Temperature range, min.			436.10
Temperature range, max.			609.50

P_vap	1.33	kPa	436.10	Calculated Property
P_vap	2.99	kPa	455.37	Calculated Property
P_vap	6.17	kPa	474.63	Calculated Property
P_vap	11.81	kPa	493.90	Calculated Property
P_vap	21.26	kPa	513.17	Calculated Property
P_vap	36.25	kPa	532.43	Calculated Property
P_vap	58.98	kPa	551.70	Calculated Property
P_vap	92.12	kPa	570.97	Calculated Property
P_vap	138.82	kPa	590.23	Calculated Property
P_vap	202.64	kPa	609.50	Calculated Property
P_vap	[2.11e-05; 1370.81]	kPa	[295.13; 733.37]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			2.59113e+02
Coefficient B			-2.12295e+04
Coefficient C			-3.50392e+01
Coefficient D			1.53105e-05
Temperature range, min.			295.13
Temperature range, max.			733.37

P_vap	2.11e-05	kPa	295.13	Calculated Property
P_vap	4.27e-03	kPa	343.82	Calculated Property
P_vap	0.15	kPa	392.52	Calculated Property
P_vap	1.83	kPa	441.21	Calculated Property
P_vap	11.17	kPa	489.90	Calculated Property
P_vap	43.71	kPa	538.60	Calculated Property
P_vap	128.05	kPa	587.29	Calculated Property
P_vap	311.38	kPa	635.98	Calculated Property
P_vap	674.90	kPa	684.68	Calculated Property
P_vap	1370.81	kPa	733.37	Calculated Property

Similar Compounds

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Mixtures

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Chemical Properties of Heptadecane (CAS 629-78-7)