Chemical Properties of Hexadecane, 2-methyl- (CAS 1560-92-5)

InChI

InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3

InChI Key

FNWWOHKUXFTKGN-UHFFFAOYSA-N

Formula

C17H36

SMILES

CCCCCCCCCCCCCCC(C)C

Molecular Weight¹

240.47

CAS

1560-92-5

Other Names

• 2-Methylhexadecane

• 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).
• I_np : Non-polar retention indices.
• I : 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	0.7246		Relay (1.0) Calculated Property
ΔfG°	89.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-409.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.26	kJ/mol	Joback Calculated Property
ΔvapH°	84.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-7.80		Relay (1.0) Calculated Property
logPoct/wat	6.734		Crippen Calculated Property
McVol	250.390	ml/mol	McGowan Calculated Property
Pc	1238.09	kPa	Joback Calculated Property
Inp	[1659.00; 1671.00]
Inp	1665.00		NIST
Inp	1660.60		NIST
Inp	1663.80		NIST
Inp	1664.00		NIST
Inp	1664.72		NIST
Inp	1664.77		NIST
Inp	1664.63		NIST
Inp	1663.61		NIST
Inp	1663.85		NIST
Inp	1664.11		NIST
Inp	1666.00		NIST
Inp	1665.00		NIST
Inp	1665.40		NIST
Inp	Outlier 1671.00		NIST
Inp	Outlier 1659.00		NIST
Inp	1666.00		NIST
Inp	1664.00		NIST
Inp	1663.85		NIST
Inp	Outlier 1659.00		NIST
I	[1654.00; 1661.70]
I	1661.70		NIST
I	1654.00		NIST
I	1654.00		NIST
Tboil	554.15	K	Relay (1.0) Calculated Property
Tc	716.96	K	Relay (1.0) Calculated Property
Tfus	278.10 ± 6.00	K	NIST
Vc	1.003	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.80; 896.91]	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			-1.42470e+01
Coefficient B			1.62476e+00
Coefficient C			-9.04200e-04
Coefficient D			1.90600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	365.80	J/mol×K	273.00	Calculated Property
Cp,gas	455.83	J/mol×K	353.78	Calculated Property
Cp,gas	536.69	J/mol×K	434.56	Calculated Property
Cp,gas	609.00	J/mol×K	515.33	Calculated Property
Cp,gas	673.36	J/mol×K	596.11	Calculated Property
Cp,gas	730.36	J/mol×K	676.89	Calculated Property
Cp,gas	780.62	J/mol×K	757.67	Calculated Property
Cp,gas	824.72	J/mol×K	838.44	Calculated Property
Cp,gas	863.29	J/mol×K	919.22	Calculated Property
Cp,gas	896.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051530; 0.0001917]	Pa×s	[278.10; 524.38]	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			-1.22764e+01
Coefficient B			1.94898e+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.			278.10
Temperature range, max.			524.38
η	0.0051530	Pa×s	278.10	Calculated Property
η	0.0027504	Pa×s	305.46	Calculated Property
η	0.0016277	Pa×s	332.83	Calculated Property
η	0.0010432	Pa×s	360.19	Calculated Property
η	0.0007119	Pa×s	387.56	Calculated Property
η	0.0005110	Pa×s	414.92	Calculated Property
η	0.0003821	Pa×s	442.29	Calculated Property
η	0.0002956	Pa×s	469.65	Calculated Property
η	0.0002352	Pa×s	497.02	Calculated Property
η	0.0001917	Pa×s	524.38	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[432.02; 604.65]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42770e+01
Coefficient B			-4.30973e+03
Coefficient C			-1.23950e+02
Temperature range, min.			432.02
Temperature range, max.			604.65
Pvap	1.33	kPa	432.02	Calculated Property
Pvap	3.03	kPa	451.20	Calculated Property
Pvap	6.28	kPa	470.38	Calculated Property
Pvap	12.05	kPa	489.56	Calculated Property
Pvap	21.69	kPa	508.74	Calculated Property
Pvap	36.92	kPa	527.93	Calculated Property
Pvap	59.88	kPa	547.11	Calculated Property
Pvap	93.13	kPa	566.29	Calculated Property
Pvap	139.62	kPa	585.47	Calculated Property
Pvap	202.66	kPa	604.65	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecane, 2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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