Chemical Properties of Heptatriacontane (CAS 7194-84-5)

InChI

InChI=1S/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3

InChI Key

PXEZIKSRSYGOED-UHFFFAOYSA-N

Formula

C37H76

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

521.00

CAS

7194-84-5

Other Names

• n-heptatriacontane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (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_fusH° : Enthalpy of fusion at standard conditions (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.4637		Relay (1.0) Calculated Property
ΔfG°	260.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-813.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	91.59	kJ/mol	Joback Calculated Property
ΔvapH°	187.50	kJ/mol	NIST
IE	10.49	eV	Relay (1.0) Calculated Property
log10WS	-13.30		Relay (1.0) Calculated Property
logPoct/wat	14.680		Crippen Calculated Property
McVol	532.190	ml/mol	McGowan Calculated Property
Pc	439.50	kPa	Joback Calculated Property
Tboil	679.39	K	Relay (1.0) Calculated Property
Tc	847.64	K	Relay (1.0) Calculated Property
Tfus	[301.00; 349.60]	K
Tfus	312.00 ± 5.00	K	NIST
Tfus	301.00 ± 5.00	K	NIST
Tfus	349.40 ± 4.00	K	NIST
Tfus	349.60 ± 4.00	K	NIST
Vc	2.145	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[126.40; 187.50]	kJ/mol	[298.15; 659.50]
ΔvapH	187.50	kJ/mol	298.15	Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
ΔvapH	155.00 ± 2.00	kJ/mol	491.00	NIST
ΔvapH	126.40	kJ/mol	659.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.39; 1928.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.07450e+01
Coefficient B			3.51884e+00
Coefficient C			-1.98900e-03
Coefficient D			4.29100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	790.39	J/mol×K	273.00	Calculated Property
Cp,gas	984.20	J/mol×K	353.78	Calculated Property
Cp,gas	1158.00	J/mol×K	434.56	Calculated Property
Cp,gas	1313.14	J/mol×K	515.33	Calculated Property
Cp,gas	1450.98	J/mol×K	596.11	Calculated Property
Cp,gas	1572.88	J/mol×K	676.89	Calculated Property
Cp,gas	1680.19	J/mol×K	757.67	Calculated Property
Cp,gas	1774.28	J/mol×K	838.44	Calculated Property
Cp,gas	1856.49	J/mol×K	919.22	Calculated Property
Cp,gas	1928.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0227987; 0.0000119]	Pa×s	[328.00; 946.29]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.53492e+01
Coefficient B			3.79436e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			328.00
Temperature range, max.			946.29
η	0.0227987	Pa×s	328.00	Calculated Property
η	0.0030752	Pa×s	396.70	Calculated Property
η	0.0007494	Pa×s	465.40	Calculated Property
η	0.0002626	Pa×s	534.10	Calculated Property
η	0.0001168	Pa×s	602.80	Calculated Property
η	0.0000614	Pa×s	671.50	Calculated Property
η	0.0000363	Pa×s	740.20	Calculated Property
η	0.0000235	Pa×s	808.89	Calculated Property
η	0.0000163	Pa×s	877.59	Calculated Property
η	0.0000119	Pa×s	946.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[599.22; 817.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54624e+01
Coefficient B			-6.70760e+03
Coefficient C			-1.57198e+02
Temperature range, min.			599.22
Temperature range, max.			817.99
Pvap	1.33	kPa	599.22	Calculated Property
Pvap	2.94	kPa	623.53	Calculated Property
Pvap	6.00	kPa	647.84	Calculated Property
Pvap	11.43	kPa	672.14	Calculated Property
Pvap	20.57	kPa	696.45	Calculated Property
Pvap	35.17	kPa	720.76	Calculated Property
Pvap	57.53	kPa	745.07	Calculated Property
Pvap	90.51	kPa	769.37	Calculated Property
Pvap	137.54	kPa	793.68	Calculated Property
Pvap	202.66	kPa	817.99	Calculated Property

Similar Compounds

Find more compounds similar to Heptatriacontane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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