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

162.27

CAS

6031-02-3

Other Names

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

• 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).
• 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
ΔfG°	160.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.76	kJ/mol	Joback Calculated Property
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	44.19	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen 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
I	[1389.00; 1389.40]
I	1389.40		NIST
I	1389.00		NIST
I	1389.00		NIST
I	1389.00		NIST
Tboil	[480.00; 482.65]	K
Tboil	482.65 ± 0.50	K	NIST
Tboil	480.00 ± 3.00	K	NIST
Tc	703.92	K	Joback Calculated Property
Tfus	236.42	K	Joback Calculated Property
Vc	0.594	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.64; 436.08]	J/mol×K	[500.20; 703.92]
Cp,gas	345.64	J/mol×K	500.20	Joback Calculated Property
Cp,gas	362.97	J/mol×K	534.15	Joback Calculated Property
Cp,gas	379.35	J/mol×K	568.11	Joback Calculated Property
Cp,gas	394.81	J/mol×K	602.06	Joback Calculated Property
Cp,gas	409.40	J/mol×K	636.01	Joback Calculated Property
Cp,gas	423.14	J/mol×K	669.96	Joback Calculated Property
Cp,gas	436.08	J/mol×K	703.92	Joback Calculated Property
η	[0.0001961; 0.0057131]	Pa×s	[236.42; 500.20]
η	0.0057131	Pa×s	236.42	Joback Calculated Property
η	0.0020964	Pa×s	280.38	Joback Calculated Property
η	0.0010095	Pa×s	324.35	Joback Calculated Property
η	0.0005788	Pa×s	368.31	Joback Calculated Property
η	0.0003736	Pa×s	412.27	Joback Calculated Property
η	0.0002624	Pa×s	456.24	Joback Calculated Property
η	0.0001961	Pa×s	500.20	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[359.42; 511.01]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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