Chemical Properties of Benzene, (1-methylnonyl)- (CAS 4537-13-7)

InChI

InChI=1S/C16H26/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3

InChI Key

DDTJIQUCOLHYDL-UHFFFAOYSA-N

Formula

C16H26

SMILES

CCCCCCCCC(C)c1ccccc1

Molecular Weight¹

218.38

CAS

4537-13-7

Other Names

• Decane, 2-phenyl-
• (2-Decyl)benzene

• 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).
• 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	0.5901		Relay (1.0) Calculated Property
ΔfG°	193.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-138.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.71	kJ/mol	Joback Calculated Property
ΔvapH°	75.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-6.39		Relay (1.0) Calculated Property
logPoct/wat	5.541		Crippen Calculated Property
McVol	212.540	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[273.10; 1616.00]
Inp	1595.00		NIST
Inp	1616.00		NIST
Inp	1588.00		NIST
Inp	1588.00		NIST
Inp	273.10		NIST
Inp	1595.00		NIST
Inp	273.10		NIST
Inp	1588.00		NIST
Ip	[1833.00; 1833.00]
Ip	1833.00		NIST
Ip	1833.00		NIST
Ip	1833.00		NIST
Tboil	562.65 ± 0.50	K	NIST
Tc	748.09	K	Relay (1.0) Calculated Property
Tfus	272.55 ± 1.00	K	NIST
Vc	0.804	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.33; 726.80]	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			-4.72430e+01
Coefficient B			1.45084e+00
Coefficient C			-8.81000e-04
Coefficient D			2.04200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.33	J/mol×K	273.00	Calculated Property
Cp,gas	364.81	J/mol×K	353.78	Calculated Property
Cp,gas	433.62	J/mol×K	434.56	Calculated Property
Cp,gas	494.40	J/mol×K	515.33	Calculated Property
Cp,gas	547.81	J/mol×K	596.11	Calculated Property
Cp,gas	594.49	J/mol×K	676.89	Calculated Property
Cp,gas	635.08	J/mol×K	757.67	Calculated Property
Cp,gas	670.23	J/mol×K	838.44	Calculated Property
Cp,gas	700.59	J/mol×K	919.22	Calculated Property
Cp,gas	726.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059184; 0.0001803]	Pa×s	[272.55; 549.41]	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			-1.20577e+01
Coefficient B			1.88824e+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.			272.55
Temperature range, max.			549.41
η	0.0059184	Pa×s	272.55	Calculated Property
η	0.0029312	Pa×s	303.31	Calculated Property
η	0.0016523	Pa×s	334.08	Calculated Property
η	0.0010259	Pa×s	364.84	Calculated Property
η	0.0006860	Pa×s	395.60	Calculated Property
η	0.0004861	Pa×s	426.36	Calculated Property
η	0.0003608	Pa×s	457.13	Calculated Property
η	0.0002781	Pa×s	487.89	Calculated Property
η	0.0002211	Pa×s	518.65	Calculated Property
η	0.0001803	Pa×s	549.41	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-methylnonyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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