Chemical Properties of Hentriacontane (CAS 630-04-6)

InChI

InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

InChI Key

IUJAMGNYPWYUPM-UHFFFAOYSA-N

Formula

C31H64

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

436.84

CAS

630-04-6

Other Names

• n-hentriacontane
• untriacontane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• I_np : Non-polar retention indices.
• 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	1.2530		Relay (1.0) Calculated Property
ΔfG°	210.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.05	kJ/mol	Joback Calculated Property
ΔvapH°	157.30	kJ/mol	NIST
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-11.67		Relay (1.0) Calculated Property
logPoct/wat	12.339		Crippen Calculated Property
McVol	447.650	ml/mol	McGowan Calculated Property
Pc	568.52	kPa	Joback Calculated Property
Inp	[472.70; 478.65]
Inp	478.65		NIST
Inp	472.70		NIST
Tboil	642.30	K	Relay (1.0) Calculated Property
Tc	812.17	K	Relay (1.0) Calculated Property
Tfus	[340.40; 342.00]	K
Tfus	341.70 ± 1.00	K	NIST
Tfus	341.00 ± 1.00	K	NIST
Tfus	342.00 ± 1.00	K	NIST
Tfus	Outlier 340.40 ± 0.10	K	NIST
Tfus	341.20 ± 0.60	K	NIST
Tfus	341.60 ± 0.60	K	NIST
Tfus	341.00 ± 2.00	K	NIST
Tfus	341.70 ± 1.00	K	NIST
Tfus	340.90 ± 0.50	K	NIST
Tfus	342.00 ± 2.00	K	NIST
Tfus	342.00 ± 2.00	K	NIST
Tfus	342.00 ± 2.00	K	NIST
Tfus	341.20 ± 4.00	K	NIST
Tfus	342.00 ± 2.00	K	NIST
Tfus	341.60 ± 4.00	K	NIST
Tfus	341.30 ± 3.00	K	NIST
Tfus	341.30 ± 5.00	K	NIST
Tfus	341.30 ± 3.00	K	NIST
Vc	1.818	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1549.83; 1697.00]	J/mol×K	[908.68; 1124.59]
Cp,gas	1549.83	J/mol×K	908.68	Joback Calculated Property
Cp,gas	1578.23	J/mol×K	944.67	Joback Calculated Property
Cp,gas	1604.94	J/mol×K	980.65	Joback Calculated Property
Cp,gas	1630.08	J/mol×K	1016.64	Joback Calculated Property
Cp,gas	1653.73	J/mol×K	1052.62	Joback Calculated Property
Cp,gas	1676.01	J/mol×K	1088.61	Joback Calculated Property
Cp,gas	1697.00	J/mol×K	1124.59	Joback Calculated Property
Cp,solid	912.00	J/mol×K	323.00	NIST
η	[0.0000209; 0.0009328]	Pa×s	[439.13; 908.68]
η	0.0009328	Pa×s	439.13	Joback Calculated Property
η	0.0003067	Pa×s	517.39	Joback Calculated Property
η	0.0001351	Pa×s	595.65	Joback Calculated Property
η	0.0000720	Pa×s	673.90	Joback Calculated Property
η	0.0000437	Pa×s	752.16	Joback Calculated Property
η	0.0000292	Pa×s	830.42	Joback Calculated Property
η	0.0000209	Pa×s	908.68	Joback Calculated Property
ΔvapH	[113.80; 157.30]	kJ/mol	[298.15; 617.50]
ΔvapH	157.30	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	146.00 ± 2.00	kJ/mol	453.50	NIST
ΔvapH	113.80	kJ/mol	617.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[562.42; 771.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53473e+01
Coefficient B			-6.29509e+03
Coefficient C			-1.44410e+02
Temperature range, min.			562.42
Temperature range, max.			771.67
Pvap	1.33	kPa	562.42	Calculated Property
Pvap	2.95	kPa	585.67	Calculated Property
Pvap	6.02	kPa	608.92	Calculated Property
Pvap	11.49	kPa	632.17	Calculated Property
Pvap	20.66	kPa	655.42	Calculated Property
Pvap	35.32	kPa	678.67	Calculated Property
Pvap	57.73	kPa	701.92	Calculated Property
Pvap	90.73	kPa	725.17	Calculated Property
Pvap	137.70	kPa	748.42	Calculated Property
Pvap	202.64	kPa	771.67	Calculated Property

Similar Compounds

Find more compounds similar to Hentriacontane.

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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