Chemical Properties of (1-Methylenebut-2-enyl)benzene (CAS 70588-46-4)

InChI

InChI=1S/C11H12/c1-3-7-10(2)11-8-5-4-6-9-11/h3-9H,2H2,1H3/b7-3+

InChI Key

MIUBQKCXRYVWFR-XVNBXDOJSA-N

Formula

C11H12

SMILES

C=C(C=CC)c1ccccc1

Molecular Weight¹

144.21

CAS

70588-46-4

Other Names

• 2-phenyl-1,3-pentadiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	225.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.90	kJ/mol	Joback Calculated Property
ΔvapH°	53.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
logPoct/wat	3.276		Crippen Calculated Property
McVol	133.490	ml/mol	McGowan Calculated Property
Pc	2940.89	kPa	Joback Calculated Property
Inp	[1134.90; 1134.90]
Inp	1134.90		NIST
Inp	1134.90		NIST
Tboil	473.56	K	Relay (1.0) Calculated Property
Tc	685.79	K	Relay (1.0) Calculated Property
Tfus	254.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.71; 343.23]	J/mol×K	[478.48; 699.44]
Cp,gas	265.71	J/mol×K	478.48	Joback Calculated Property
Cp,gas	281.05	J/mol×K	515.31	Joback Calculated Property
Cp,gas	295.33	J/mol×K	552.13	Joback Calculated Property
Cp,gas	308.63	J/mol×K	588.96	Joback Calculated Property
Cp,gas	321.00	J/mol×K	625.79	Joback Calculated Property
Cp,gas	332.52	J/mol×K	662.61	Joback Calculated Property
Cp,gas	343.23	J/mol×K	699.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1-Methylenebut-2-enyl)benzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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