Chemical Properties of Benzene, (1,2-dimethylpropyl)- (CAS 4481-30-5)

InChI

InChI=1S/C11H16/c1-9(2)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3

InChI Key

NQRMTOKLHZNAQH-UHFFFAOYSA-N

Formula

C11H16

SMILES

CC(C)C(C)c1ccccc1

Molecular Weight¹

148.24

CAS

4481-30-5

Other Names

• (1,2-Dimethylpropyl)benzene
• 2-Methyl-3-phenylbutane
• 2-Phenyl-3-methylbutane
• 3-Methyl-2-phenylbutane
• Butane, 2-methyl-3-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°	149.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.40	kJ/mol	Joback Calculated Property
ΔfusH°	11.24	kJ/mol	Joback Calculated Property
ΔvapH°	41.58	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	3.446		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2693.00	kPa	Joback Calculated Property
Inp	[1059.00; 1092.00]
Inp	1069.00		NIST
Inp	1069.00		NIST
Inp	1079.00		NIST
Inp	1059.00		NIST
Inp	1074.00		NIST
Inp	1068.00		NIST
Inp	1076.00		NIST
Inp	Outlier 1092.00		NIST
Inp	1069.00		NIST
Inp	1074.00		NIST
I	[1258.00; 1264.00]
I	1258.40		NIST
I	1258.00		NIST
I	1264.00		NIST
I	1264.00		NIST
I	1258.40		NIST
Tboil	[457.00; 463.00]	K
Tboil	458.65 ± 6.00	K	NIST
Tboil	457.00 ± 6.00	K	NIST
Tboil	459.00 ± 4.00	K	NIST
Tboil	463.00 ± 4.00	K	NIST
Tc	688.31	K	Joback Calculated Property
Tfus	210.15	K	Joback Calculated Property
Vc	0.531	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.22; 388.36]	J/mol×K	[476.88; 688.31]
Cp,gas	300.22	J/mol×K	476.88	Joback Calculated Property
Cp,gas	317.21	J/mol×K	512.12	Joback Calculated Property
Cp,gas	333.22	J/mol×K	547.36	Joback Calculated Property
Cp,gas	348.31	J/mol×K	582.59	Joback Calculated Property
Cp,gas	362.50	J/mol×K	617.83	Joback Calculated Property
Cp,gas	375.84	J/mol×K	653.07	Joback Calculated Property
Cp,gas	388.36	J/mol×K	688.31	Joback Calculated Property
η	[0.0001970; 0.0094736]	Pa×s	[210.15; 476.88]
η	0.0094736	Pa×s	210.15	Joback Calculated Property
η	0.0028275	Pa×s	254.61	Joback Calculated Property
η	0.0012090	Pa×s	299.06	Joback Calculated Property
η	0.0006441	Pa×s	343.51	Joback Calculated Property
η	0.0003964	Pa×s	387.97	Joback Calculated Property
η	0.0002695	Pa×s	432.43	Joback Calculated Property
η	0.0001970	Pa×s	476.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[339.14; 491.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41758e+01
Coefficient B			-3.73966e+03
Coefficient C			-6.98700e+01
Temperature range, min.			339.14
Temperature range, max.			491.75
Pvap	1.33	kPa	339.14	Calculated Property
Pvap	3.04	kPa	356.10	Calculated Property
Pvap	6.30	kPa	373.05	Calculated Property
Pvap	12.12	kPa	390.01	Calculated Property
Pvap	21.80	kPa	406.97	Calculated Property
Pvap	37.09	kPa	423.92	Calculated Property
Pvap	60.11	kPa	440.88	Calculated Property
Pvap	93.38	kPa	457.84	Calculated Property
Pvap	139.82	kPa	474.79	Calculated Property
Pvap	202.66	kPa	491.75	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1,2-dimethylpropyl)-.

Sources

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

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