Chemical Properties of Benzene, 3-cyclohexen-1-yl-

InChI

InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2

InChI Key

XWCWNUSFQVJNDI-UHFFFAOYSA-N

Formula

C12H14

SMILES

C1=CCC(c2ccccc2)CC1

Molecular Weight¹

158.24

Other Names

• 4-Phenylcyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	157.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.93	kJ/mol	Joback Calculated Property
ΔvapH°	57.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.57 ± 0.01	eV	NIST
logPoct/wat	3.510		Crippen Calculated Property
McVol	141.020	ml/mol	McGowan Calculated Property
Inp	[1345.00; 1345.00]
Inp	1345.00		NIST
Inp	1345.00		NIST
I	[1800.00; 1802.00]
I	1800.00		NIST
I	1802.00		NIST
I	1800.00		NIST
Tboil	510.11	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[315.09; 414.92]	J/mol×K	[519.35; 762.70]
Cp,gas	315.09	J/mol×K	519.35	Joback Calculated Property
Cp,gas	335.13	J/mol×K	559.91	Joback Calculated Property
Cp,gas	353.72	J/mol×K	600.47	Joback Calculated Property
Cp,gas	370.92	J/mol×K	641.02	Joback Calculated Property
Cp,gas	386.81	J/mol×K	681.58	Joback Calculated Property
Cp,gas	401.46	J/mol×K	722.14	Joback Calculated Property
Cp,gas	414.92	J/mol×K	762.70	Joback Calculated Property
η	[0.0002271; 0.0041071]	Pa×s	[259.56; 519.35]
η	0.0041071	Pa×s	259.56	Joback Calculated Property
η	0.0017955	Pa×s	302.86	Joback Calculated Property
η	0.0009654	Pa×s	346.16	Joback Calculated Property
η	0.0005959	Pa×s	389.45	Joback Calculated Property
η	0.0004051	Pa×s	432.75	Joback Calculated Property
η	0.0002954	Pa×s	476.05	Joback Calculated Property
η	0.0002271	Pa×s	519.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 3-cyclohexen-1-yl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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