Chemical Properties of Octadecane, 2-methyl- (CAS 1560-88-9)

InChI

InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3

InChI Key

KVQVGSDBGJXNGV-UHFFFAOYSA-N

Formula

C19H40

SMILES

CCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

268.52

CAS

1560-88-9

Other Names

• 2-Methyloctadecane

• 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	0.7947		Relay (1.0) Calculated Property
ΔfG°	106.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-451.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.44	kJ/mol	Joback Calculated Property
ΔvapH°	95.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-8.35		Relay (1.0) Calculated Property
logPoct/wat	7.514		Crippen Calculated Property
McVol	278.570	ml/mol	McGowan Calculated Property
Pc	1086.35	kPa	Joback Calculated Property
Inp	[1860.00; 1887.00]
Inp	1864.00		NIST
Inp	1860.40		NIST
Inp	1863.20		NIST
Inp	1864.00		NIST
Inp	1867.00		NIST
Inp	1865.30		NIST
Inp	Outlier 1887.00		NIST
Inp	1860.00		NIST
Inp	1865.30		NIST
Inp	1864.00		NIST
Inp	1867.00		NIST
Inp	Outlier 1887.00		NIST
I	[1861.70; 1861.70]
I	1861.70		NIST
I	1861.70		NIST
Tboil	571.27	K	Relay (1.0) Calculated Property
Tc	737.38	K	Relay (1.0) Calculated Property
Tfus	[284.40; 286.00]	K
Tfus	284.40 ± 1.50	K	NIST
Tfus	286.00 ± 2.00	K	NIST
Vc	1.118	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.23; 1000.09]	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			-1.60650e+01
Coefficient B			1.81476e+00
Coefficient C			-1.01300e-03
Coefficient D			2.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	408.23	J/mol×K	273.00	Calculated Property
Cp,gas	508.66	J/mol×K	353.78	Calculated Property
Cp,gas	598.85	J/mol×K	434.56	Calculated Property
Cp,gas	679.46	J/mol×K	515.33	Calculated Property
Cp,gas	751.18	J/mol×K	596.11	Calculated Property
Cp,gas	814.68	J/mol×K	676.89	Calculated Property
Cp,gas	870.65	J/mol×K	757.67	Calculated Property
Cp,gas	919.75	J/mol×K	838.44	Calculated Property
Cp,gas	962.68	J/mol×K	919.22	Calculated Property
Cp,gas	1000.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062824; 0.0001626]	Pa×s	[285.20; 556.65]	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			-1.25640e+01
Coefficient B			2.13730e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			285.20
Temperature range, max.			556.65
η	0.0062824	Pa×s	285.20	Calculated Property
η	0.0030680	Pa×s	315.36	Calculated Property
η	0.0016980	Pa×s	345.52	Calculated Property
η	0.0010334	Pa×s	375.68	Calculated Property
η	0.0006771	Pa×s	405.84	Calculated Property
η	0.0004704	Pa×s	436.00	Calculated Property
η	0.0003425	Pa×s	466.16	Calculated Property
η	0.0002592	Pa×s	496.33	Calculated Property
η	0.0002026	Pa×s	526.49	Calculated Property
η	0.0001626	Pa×s	556.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[454.86; 635.29]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42026e+01
Coefficient B			-4.44327e+03
Coefficient C			-1.35550e+02
Temperature range, min.			454.86
Temperature range, max.			635.29
Pvap	1.33	kPa	454.86	Calculated Property
Pvap	3.03	kPa	474.91	Calculated Property
Pvap	6.30	kPa	494.96	Calculated Property
Pvap	12.10	kPa	515.00	Calculated Property
Pvap	21.77	kPa	535.05	Calculated Property
Pvap	37.04	kPa	555.10	Calculated Property
Pvap	60.04	kPa	575.15	Calculated Property
Pvap	93.30	kPa	595.19	Calculated Property
Pvap	139.75	kPa	615.24	Calculated Property
Pvap	202.64	kPa	635.29	Calculated Property

Similar Compounds

Find more compounds similar to Octadecane, 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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