Chemical Properties of Hexadecane, 4-methyl- (CAS 25117-26-4)

InChI

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

InChI Key

OREPYGSHKSWUCK-UHFFFAOYSA-N

Formula

C17H36

SMILES

CCCCCCCCCCCCC(C)CCC

Molecular Weight¹

240.47

CAS

25117-26-4

Other Names

• 4-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	0.7101		Relay (1.0) Calculated Property
ΔfG°	89.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.26	kJ/mol	Joback Calculated Property
ΔvapH°	83.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-7.75		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; 1660.00]
Inp	1660.00		NIST
Inp	1659.00		NIST
Inp	1659.90		NIST
I	[1655.00; 1655.00]
I	1655.00		NIST
I	1655.00		NIST
Tboil	550.83	K	Relay (1.0) Calculated Property
Tc	718.66	K	Relay (1.0) Calculated Property
Tfus	254.97	K	Relay (1.0) Calculated Property
Vc	0.982	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	[0.0070198; 0.0001917]	Pa×s	[266.35; 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
Temperature range, min.			266.35
Temperature range, max.			524.38
η	0.0070198	Pa×s	266.35	Calculated Property
η	0.0034474	Pa×s	295.02	Calculated Property
η	0.0019203	Pa×s	323.69	Calculated Property
η	0.0011766	Pa×s	352.36	Calculated Property
η	0.0007760	Pa×s	381.03	Calculated Property
η	0.0005425	Pa×s	409.70	Calculated Property
η	0.0003975	Pa×s	438.37	Calculated Property
η	0.0003025	Pa×s	467.04	Calculated Property
η	0.0002377	Pa×s	495.71	Calculated Property
η	0.0001917	Pa×s	524.38	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[420.54; 601.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.69584e+01
Coefficient B			-6.97978e+03
Coefficient C			-1.85600e+00
Temperature range, min.			420.54
Temperature range, max.			601.14
Pvap	1.33	kPa	420.54	Calculated Property
Pvap	2.86	kPa	440.61	Calculated Property
Pvap	5.73	kPa	460.67	Calculated Property
Pvap	10.84	kPa	480.74	Calculated Property
Pvap	19.48	kPa	500.81	Calculated Property
Pvap	33.46	kPa	520.87	Calculated Property
Pvap	55.20	kPa	540.94	Calculated Property
Pvap	87.85	kPa	561.01	Calculated Property
Pvap	135.37	kPa	581.07	Calculated Property
Pvap	202.66	kPa	601.14	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecane, 4-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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