Chemical Properties of Cyclohexene,1-(2-propenyl)- (CAS 13511-13-2)

InChI

InChI=1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h2,7H,1,3-6,8H2

InChI Key

GTUOTYSUNDPMPS-UHFFFAOYSA-N

Formula

C9H14

SMILES

C=CCC1=CCCCC1

Molecular Weight¹

122.21

CAS

13511-13-2

Other Names

• 1-Allyl-1-cyclohexene
• 1-Allylcyclohexene-1

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	76.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	45.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.49 ± 0.01	eV	NIST
logPoct/wat	3.063		Crippen Calculated Property
McVol	118.210	ml/mol	McGowan Calculated Property
Inp	[929.00; 979.00]
Inp	971.00		NIST
Inp	979.00		NIST
Inp	929.20		NIST
Inp	934.50		NIST
Inp	929.00		NIST
Inp	934.00		NIST
Inp	929.00		NIST
Inp	971.00		NIST
Inp	934.00		NIST
I	[1134.00; 1154.10]
I	1154.00		NIST
I	1134.00		NIST
I	1144.00		NIST
I	1154.10		NIST
I	1134.20		NIST
I	1144.00		NIST
I	1154.10		NIST
I	1134.20		NIST
I	1144.00		NIST
Tboil	430.69	K	Relay (1.0) Calculated Property
Tfus	175.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[226.97; 310.44]	J/mol×K	[430.56; 638.10]
Cp,gas	226.97	J/mol×K	430.56	Joback Calculated Property
Cp,gas	242.95	J/mol×K	465.15	Joback Calculated Property
Cp,gas	258.06	J/mol×K	499.74	Joback Calculated Property
Cp,gas	272.33	J/mol×K	534.33	Joback Calculated Property
Cp,gas	285.79	J/mol×K	568.92	Joback Calculated Property
Cp,gas	298.49	J/mol×K	603.51	Joback Calculated Property
Cp,gas	310.44	J/mol×K	638.10	Joback Calculated Property
η	[0.0002490; 0.0054593]	Pa×s	[214.33; 430.56]
η	0.0054593	Pa×s	214.33	Joback Calculated Property
η	0.0022533	Pa×s	250.37	Joback Calculated Property
η	0.0011620	Pa×s	286.41	Joback Calculated Property
η	0.0006949	Pa×s	322.44	Joback Calculated Property
η	0.0004608	Pa×s	358.48	Joback Calculated Property
η	0.0003294	Pa×s	394.52	Joback Calculated Property
η	0.0002490	Pa×s	430.56	Joback Calculated Property

Similar Compounds

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.