Chemical Properties of Benzene, (1,1-dimethylbutyl)- (CAS 1985-57-5)

InChI

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

InChI Key

PIUUDKDOAUICQP-UHFFFAOYSA-N

Formula

C12H18

SMILES

CCCC(C)(C)c1ccccc1

Molecular Weight¹

162.27

CAS

1985-57-5

Other Names

• (1,1-Dimethylbutyl)benzene
• 2-Methyl-2-phenylpentane

• 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°	165.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-63.23	kJ/mol	Joback Calculated Property
ΔfusH°	13.46	kJ/mol	Joback Calculated Property
ΔvapH°	43.29	kJ/mol	Joback Calculated Property
log10WS	-3.62		Crippen Calculated Property
logPoct/wat	3.764		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Pc	2450.74	kPa	Joback Calculated Property
Inp	[1168.00; 1168.00]
Inp	1168.00		NIST
Inp	1168.00		NIST
I	[1378.00; 1378.00]
I	1378.00		NIST
I	1378.00		NIST
Tboil	497.41	K	Joback Calculated Property
Tc	709.64	K	Joback Calculated Property
Tfus	253.84	K	Joback Calculated Property
Vc	0.589	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.23; 441.46]	J/mol×K	[497.41; 709.64]
Cp,gas	348.23	J/mol×K	497.41	Joback Calculated Property
Cp,gas	366.48	J/mol×K	532.78	Joback Calculated Property
Cp,gas	383.57	J/mol×K	568.15	Joback Calculated Property
Cp,gas	399.55	J/mol×K	603.52	Joback Calculated Property
Cp,gas	414.48	J/mol×K	638.90	Joback Calculated Property
Cp,gas	428.43	J/mol×K	674.27	Joback Calculated Property
Cp,gas	441.46	J/mol×K	709.64	Joback Calculated Property
η	[0.0002010; 0.0054882]	Pa×s	[253.84; 497.41]
η	0.0054882	Pa×s	253.84	Joback Calculated Property
η	0.0021629	Pa×s	294.44	Joback Calculated Property
η	0.0010682	Pa×s	335.03	Joback Calculated Property
η	0.0006144	Pa×s	375.62	Joback Calculated Property
η	0.0003937	Pa×s	416.22	Joback Calculated Property
η	0.0002730	Pa×s	456.81	Joback Calculated Property
η	0.0002010	Pa×s	497.41	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[357.42; 508.40]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47354e+01
Coefficient B			-4.09168e+03
Coefficient C			-7.42150e+01
Temperature range, min.			357.42
Temperature range, max.			508.40
Pvap	1.33	kPa	357.42	Calculated Property
Pvap	2.99	kPa	374.20	Calculated Property
Pvap	6.16	kPa	390.97	Calculated Property
Pvap	11.79	kPa	407.75	Calculated Property
Pvap	21.22	kPa	424.52	Calculated Property
Pvap	36.19	kPa	441.30	Calculated Property
Pvap	58.91	kPa	458.07	Calculated Property
Pvap	92.05	kPa	474.85	Calculated Property
Pvap	138.77	kPa	491.62	Calculated Property
Pvap	202.66	kPa	508.40	Calculated Property

Similar Compounds

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

Sources

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

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