Chemical Properties of Heptadecane, 9-methyl- (CAS 18869-72-2)

InChI

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

InChI Key

LUUWKCSVACCBSJ-UHFFFAOYSA-N

Formula

C18H38

SMILES

CCCCCCCCC(C)CCCCCCCC

Molecular Weight¹

254.49

CAS

18869-72-2

Other Names

• 9-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).
• 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	0.7453		Relay (1.0) Calculated Property
ΔfG°	98.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
ΔvapH°	84.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	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	[1738.00; 1745.40]
Inp	1738.00		NIST
Inp	1745.40		NIST
Inp	1738.00		NIST
Tboil	561.04	K	Relay (1.0) Calculated Property
Tc	725.44	K	Relay (1.0) Calculated Property
Tfus	265.00 ± 4.00	K	NIST
Vc	1.037	m3/kmol	Relay (1.0) Calculated Property

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	[0.0090162; 0.0001773]	Pa×s	[265.00; 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.			265.00
Temperature range, max.			540.39
η	0.0090162	Pa×s	265.00	Calculated Property
η	0.0040589	Pa×s	295.60	Calculated Property
η	0.0021224	Pa×s	326.20	Calculated Property
η	0.0012403	Pa×s	356.80	Calculated Property
η	0.0007891	Pa×s	387.40	Calculated Property
η	0.0005363	Pa×s	418.00	Calculated Property
η	0.0003843	Pa×s	448.60	Calculated Property
η	0.0002873	Pa×s	479.19	Calculated Property
η	0.0002224	Pa×s	509.79	Calculated Property
η	0.0001773	Pa×s	540.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[445.81; 597.86]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.66382e+01
Coefficient B			-5.60489e+03
Coefficient C			-1.03021e+02
Temperature range, min.			445.81
Temperature range, max.			597.86
Pvap	1.33	kPa	445.81	Calculated Property
Pvap	2.87	kPa	462.70	Calculated Property
Pvap	5.78	kPa	479.60	Calculated Property
Pvap	10.95	kPa	496.49	Calculated Property
Pvap	19.69	kPa	513.39	Calculated Property
Pvap	33.79	kPa	530.28	Calculated Property
Pvap	55.65	kPa	547.18	Calculated Property
Pvap	88.36	kPa	564.07	Calculated Property
Pvap	135.79	kPa	580.97	Calculated Property
Pvap	202.66	kPa	597.86	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecane, 9-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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