Chemical Properties of Heptadecane, 4-methyl- (CAS 26429-11-8)

InChI

InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3

InChI Key

YPPNOYRCEQRCHY-UHFFFAOYSA-N

Formula

C18H38

SMILES

CCCCCCCCCCCCCC(C)CCC

Molecular Weight¹

254.49

CAS

26429-11-8

Other Names

• 4-Methylheptadecane

• 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_p : 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	0.7451		Relay (1.0) Calculated Property
ΔfG°	98.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
ΔvapH°	88.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-8.02		Relay (1.0) Calculated Property
logPoct/wat	7.124		Crippen Calculated Property
McVol	264.480	ml/mol	McGowan Calculated Property
Pc	1158.50	kPa	Joback Calculated Property
Inp	[1756.00; 1760.00]
Inp	1760.00		NIST
Inp	1759.00		NIST
Inp	1759.90		NIST
Inp	1757.00		NIST
Inp	1756.00		NIST
Inp	1759.00		NIST
Ip	[1754.00; 1754.00]
Ip	1754.00		NIST
Ip	1754.00		NIST
Tboil	560.13	K	Relay (1.0) Calculated Property
Tc	728.90	K	Relay (1.0) Calculated Property
Tfus	261.43	K	Relay (1.0) Calculated Property
Vc	1.040	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.02; 948.50]	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			-1.51560e+01
Coefficient B			1.71976e+00
Coefficient C			-9.58600e-04
Coefficient D			2.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.02	J/mol×K	273.00	Calculated Property
Cp,gas	482.25	J/mol×K	353.78	Calculated Property
Cp,gas	567.77	J/mol×K	434.56	Calculated Property
Cp,gas	644.23	J/mol×K	515.33	Calculated Property
Cp,gas	712.27	J/mol×K	596.11	Calculated Property
Cp,gas	772.52	J/mol×K	676.89	Calculated Property
Cp,gas	825.63	J/mol×K	757.67	Calculated Property
Cp,gas	872.24	J/mol×K	838.44	Calculated Property
Cp,gas	912.98	J/mol×K	919.22	Calculated Property
Cp,gas	948.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063506; 0.0001773]	Pa×s	[277.62; 540.39]	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			-1.24187e+01
Coefficient B			2.04314e+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.			277.62
Temperature range, max.			540.39
η	0.0063506	Pa×s	277.62	Calculated Property
η	0.0031526	Pa×s	306.82	Calculated Property
η	0.0017675	Pa×s	336.01	Calculated Property
η	0.0010871	Pa×s	365.21	Calculated Property
η	0.0007184	Pa×s	394.41	Calculated Property
η	0.0005027	Pa×s	423.60	Calculated Property
η	0.0003684	Pa×s	452.80	Calculated Property
η	0.0002803	Pa×s	482.00	Calculated Property
η	0.0002200	Pa×s	511.20	Calculated Property
η	0.0001773	Pa×s	540.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[429.28; 614.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.69633e+01
Coefficient B			-7.18025e+03
Coefficient C			1.30400e+00
Temperature range, min.			429.28
Temperature range, max.			614.93
Pvap	1.33	kPa	429.28	Calculated Property
Pvap	2.86	kPa	449.91	Calculated Property
Pvap	5.73	kPa	470.54	Calculated Property
Pvap	10.84	kPa	491.16	Calculated Property
Pvap	19.48	kPa	511.79	Calculated Property
Pvap	33.45	kPa	532.42	Calculated Property
Pvap	55.19	kPa	553.05	Calculated Property
Pvap	87.83	kPa	573.67	Calculated Property
Pvap	135.36	kPa	594.30	Calculated Property
Pvap	202.65	kPa	614.93	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecane, 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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