Chemical Properties of Benzene, (2-methyl-1-propenyl)- (CAS 768-49-0)

InChI

InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3

InChI Key

BTOVVHWKPVSLBI-UHFFFAOYSA-N

Formula

C10H12

SMILES

CC(C)=Cc1ccccc1

Molecular Weight¹

132.20

CAS

768-49-0

Other Names

• (2-METHYL-1-PROPENYL)BENZENE
• (2-Methylpropenyl)benzene
• 1,1-DIMETHYL-2-PHENYLETHYLENE
• 1-Phenyl-2-methyl-1-propene
• 1-Phenyl-2-methylpropene
• 1-Propene, 2-methyl-1-phenyl-
• 2-Methyl-1-phenyl-1-propene
• 2-Methyl-1-phenylpropene
• 2-methyl-1-propenylbenzene
• BETA,BETA-DIMETHYLSTYRENE
• Benzene, (2-methyl-1-propen-1-yl)-
• Benzene, (2-methylpropenyl)-
• Isobutenylbenzene
• NSC 163349
• Propene, 2-methyl-1-phenyl-
• «beta»,«beta»-Dimethylstyrene
• «beta»-Methylisoallylbenzene
• «beta»,«beta»-Dimethylstyrene
• «beta»-Methylisoallylbenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	217.40	kJ/mol	Joback Calculated Property
ΔfH°gas	94.23	kJ/mol	Joback Calculated Property
ΔfusH°	14.59	kJ/mol	Joback Calculated Property
ΔvapH°	40.17	kJ/mol	Joback Calculated Property
IE	7.78 ± 0.04	eV	NIST
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	3.110		Crippen Calculated Property
McVol	123.700	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	[177.60; 1072.00]
Inp	1071.00		NIST
Inp	1067.00		NIST
Inp	1072.00		NIST
Inp	177.60		NIST
Tboil	[454.15; 461.65]	K
Tboil	460.70	K	NIST
Tboil	455.15 ± 3.00	K	NIST
Tboil	461.05 ± 0.30	K	NIST
Tboil	461.65 ± 2.00	K	NIST
Tboil	461.06 ± 0.25	K	NIST
Tboil	461.06 ± 0.30	K	NIST
Tboil	460.85 ± 0.40	K	NIST
Tboil	461.07 ± 0.30	K	NIST
Tboil	461.07 ± 0.40	K	NIST
Tboil	454.15 ± 4.00	K	NIST
Tboil	454.15 ± 5.00	K	NIST
Tboil	455.15 ± 5.00	K	NIST
Tboil	455.00 ± 4.00	K	NIST
Tboil	460.95 ± 1.50	K	NIST
Tc	678.24	K	Joback Calculated Property
Tfus	[211.65; 224.15]	K
Tfus	217.15 ± 3.00	K	NIST
Tfus	224.15 ± 2.00	K	NIST
Tfus	Outlier 211.65 ± 5.00	K	NIST
Tfus	223.35 ± 1.50	K	NIST
Tfus	222.05 ± 0.20	K	NIST
Tfus	221.97 ± 0.20	K	NIST
Tfus	221.97 ± 0.30	K	NIST
Tfus	221.97 ± 0.20	K	NIST
Tfus	222.55 ± 0.20	K	NIST
Tfus	221.97 ± 0.30	K	NIST
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.06; 316.62]	J/mol×K	[458.92; 678.24]
Cp,gas	240.06	J/mol×K	458.92	Joback Calculated Property
Cp,gas	255.09	J/mol×K	495.47	Joback Calculated Property
Cp,gas	269.14	J/mol×K	532.03	Joback Calculated Property
Cp,gas	282.26	J/mol×K	568.58	Joback Calculated Property
Cp,gas	294.51	J/mol×K	605.14	Joback Calculated Property
Cp,gas	305.95	J/mol×K	641.69	Joback Calculated Property
Cp,gas	316.62	J/mol×K	678.24	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.