Chemical Properties of Decane, 4-methyl- (CAS 2847-72-5)

InChI

InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3

InChI Key

DVWZNKLWPILULD-UHFFFAOYSA-N

Formula

C11H24

SMILES

CCCCCCC(C)CCC

Molecular Weight¹

156.31

CAS

2847-72-5

Other Names

• 4-Methyldecane

• 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	0.4875		Relay (1.0) Calculated Property
ΔfG°	39.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.72	kJ/mol	Joback Calculated Property
ΔvapH°	53.77	kJ/mol	NIST
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-6.08		Relay (1.0) Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	165.850	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[1023.00; 1064.00]
Inp	1064.00		NIST
Inp	1058.00		NIST
Inp	1056.00		NIST
Inp	1060.00		NIST
Inp	1061.00		NIST
Inp	1062.40		NIST
Inp	1054.00		NIST
Inp	1060.40		NIST
Inp	1062.00		NIST
Inp	1062.01		NIST
Inp	1061.91		NIST
Inp	1062.10		NIST
Inp	1061.22		NIST
Inp	1061.18		NIST
Inp	1061.42		NIST
Inp	1061.00		NIST
Inp	1059.00		NIST
Inp	1060.00		NIST
Inp	1061.00		NIST
Inp	1060.00		NIST
Inp	1063.00		NIST
Inp	1057.00		NIST
Inp	1061.00		NIST
Inp	1063.00		NIST
Inp	1062.00		NIST
Inp	1060.00		NIST
Inp	Outlier 1023.00		NIST
Inp	1060.00		NIST
Inp	1062.00		NIST
Inp	1059.00		NIST
Inp	1061.00		NIST
Inp	1060.00		NIST
Inp	1064.00		NIST
Inp	1059.00		NIST
Inp	1062.40		NIST
Inp	1061.91		NIST
Inp	1061.00		NIST
Ip	[1005.00; 1054.00]
Ip	1054.00		NIST
Ip	1054.00		NIST
Ip	1005.00		NIST
Tboil	[188.10; 460.10]	K
Tboil	460.10	K	NIST
Tboil	188.10 ± 0.60	K	NIST
Tc	626.70	K	NIST
Tfus	[180.25; 195.65]	K
Tfus	195.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	180.40 ± 0.50	K	NIST
Tfus	180.25 ± 1.00	K	NIST
Vc	0.636	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[40.70; 50.40]	kJ/mol	[343.00; 460.10]
ΔvapH	50.40	kJ/mol	343.00	NIST
ΔvapH	49.20	kJ/mol	358.00	NIST
ΔvapH	48.50	kJ/mol	368.00	NIST
ΔvapH	46.60	kJ/mol	399.50	NIST
ΔvapH	40.70	kJ/mol	460.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.52; 587.37]	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			-8.79300e+00
Coefficient B			1.05476e+00
Coefficient C			-5.77800e-04
Coefficient D			1.19200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.52	J/mol×K	273.00	Calculated Property
Cp,gas	297.32	J/mol×K	353.78	Calculated Property
Cp,gas	350.23	J/mol×K	434.56	Calculated Property
Cp,gas	397.63	J/mol×K	515.33	Calculated Property
Cp,gas	439.89	J/mol×K	596.11	Calculated Property
Cp,gas	477.39	J/mol×K	676.89	Calculated Property
Cp,gas	510.52	J/mol×K	757.67	Calculated Property
Cp,gas	539.64	J/mol×K	838.44	Calculated Property
Cp,gas	565.13	J/mol×K	919.22	Calculated Property
Cp,gas	587.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0174323; 0.0002345]	Pa×s	[185.43; 438.69]	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			-1.15131e+01
Coefficient B			1.38402e+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.			185.43
Temperature range, max.			438.69
η	0.0174323	Pa×s	185.43	Calculated Property
η	0.0065204	Pa×s	213.57	Calculated Property
η	0.0030664	Pa×s	241.71	Calculated Property
η	0.0016878	Pa×s	269.85	Calculated Property
η	0.0010399	Pa×s	297.99	Calculated Property
η	0.0006965	Pa×s	326.13	Calculated Property
η	0.0004972	Pa×s	354.27	Calculated Property
η	0.0003730	Pa×s	382.41	Calculated Property
η	0.0002911	Pa×s	410.55	Calculated Property
η	0.0002345	Pa×s	438.69	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[335.03; 491.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51319e+01
Coefficient B			-4.54136e+03
Coefficient C			-2.90960e+01
Temperature range, min.			335.03
Temperature range, max.			491.54
Pvap	1.33	kPa	335.03	Calculated Property
Pvap	2.96	kPa	352.42	Calculated Property
Pvap	6.07	kPa	369.81	Calculated Property
Pvap	11.59	kPa	387.20	Calculated Property
Pvap	20.85	kPa	404.59	Calculated Property
Pvap	35.62	kPa	421.98	Calculated Property
Pvap	58.14	kPa	439.37	Calculated Property
Pvap	91.19	kPa	456.76	Calculated Property
Pvap	138.08	kPa	474.15	Calculated Property
Pvap	202.66	kPa	491.54	Calculated Property

Similar Compounds

Find more compounds similar to Decane, 4-methyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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