Chemical Properties of Benzene, (1-methylpentyl)- (CAS 6031-02-3)

InChI

InChI=1S/C12H18/c1-3-4-8-11(2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3

InChI Key

CYBSWFUWEZFKNJ-UHFFFAOYSA-N

Formula

C12H18

SMILES

CCCCC(C)c1ccccc1

Molecular Weight¹

162.28

CAS

6031-02-3

Other Names

• (1-Methylpentyl)benzene
• 2-Phenylhexane
• Hexane, 2-phenyl-

• 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.
• 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	0.4050		Relay (1.0) Calculated Property
ΔfG°	160.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	56.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	3.980		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Pc	2424.27	kPa	Joback Calculated Property
Inp	1182.00		NIST
Ip	[1389.00; 1389.40]
Ip	1389.40		NIST
Ip	1389.00		NIST
Ip	1389.00		NIST
Ip	1389.00		NIST
Tboil	[480.00; 482.65]	K
Tboil	482.65 ± 0.50	K	NIST
Tboil	480.00 ± 3.00	K	NIST
Tc	689.88	K	Relay (1.0) Calculated Property
Tfus	210.47	K	Relay (1.0) Calculated Property
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.48; 520.43]	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			-4.36070e+01
Coefficient B			1.07084e+00
Coefficient C			-6.63400e-04
Coefficient D			1.56600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.48	J/mol×K	273.00	Calculated Property
Cp,gas	259.14	J/mol×K	353.78	Calculated Property
Cp,gas	309.31	J/mol×K	434.56	Calculated Property
Cp,gas	353.49	J/mol×K	515.33	Calculated Property
Cp,gas	392.17	J/mol×K	596.11	Calculated Property
Cp,gas	425.84	J/mol×K	676.89	Calculated Property
Cp,gas	455.01	J/mol×K	757.67	Calculated Property
Cp,gas	480.17	J/mol×K	838.44	Calculated Property
Cp,gas	501.81	J/mol×K	919.22	Calculated Property
Cp,gas	520.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057131; 0.0002051]	Pa×s	[236.42; 492.94]	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			-1.15587e+01
Coefficient B			1.51160e+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.			236.42
Temperature range, max.			492.94
η	0.0057131	Pa×s	236.42	Calculated Property
η	0.0028716	Pa×s	264.92	Calculated Property
η	0.0016498	Pa×s	293.42	Calculated Property
η	0.0010455	Pa×s	321.93	Calculated Property
η	0.0007136	Pa×s	350.43	Calculated Property
η	0.0005159	Pa×s	378.93	Calculated Property
η	0.0003903	Pa×s	407.43	Calculated Property
η	0.0003062	Pa×s	435.93	Calculated Property
η	0.0002475	Pa×s	464.44	Calculated Property
η	0.0002051	Pa×s	492.94	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[359.42; 511.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47402e+01
Coefficient B			-4.11192e+03
Coefficient C			-7.49100e+01
Temperature range, min.			359.42
Temperature range, max.			511.01
Pvap	1.33	kPa	359.42	Calculated Property
Pvap	2.99	kPa	376.26	Calculated Property
Pvap	6.16	kPa	393.11	Calculated Property
Pvap	11.79	kPa	409.95	Calculated Property
Pvap	21.22	kPa	426.79	Calculated Property
Pvap	36.18	kPa	443.64	Calculated Property
Pvap	58.89	kPa	460.48	Calculated Property
Pvap	92.03	kPa	477.32	Calculated Property
Pvap	138.74	kPa	494.17	Calculated Property
Pvap	202.63	kPa	511.01	Calculated Property

Similar Compounds

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

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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