Chemical Properties of Cyclohexene,3-(2-propenyl)- (CAS 15232-95-8)

InChI

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

InChI Key

RGURBRHZWFDJBM-UHFFFAOYSA-N

Formula

C9H14

SMILES

C=CCC1C=CCCC1

Molecular Weight¹

122.21

CAS

15232-95-8

Other Names

• 3-Allylcyclohexene
• 3-Allylcyclohexene-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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
ΔfusH°	10.84	kJ/mol	Joback Calculated Property
IE	8.83 ± 0.02	eV	NIST
logPoct/wat	2.919		Crippen Calculated Property
McVol	118.210	ml/mol	McGowan Calculated Property
Inp	[876.40; 962.00]
Inp	962.00		NIST
Inp	917.00		NIST
Inp	923.00		NIST
Inp	917.00		NIST
Inp	923.00		NIST
Inp	876.40		NIST
Inp	876.40		NIST
Inp	962.00		NIST
I	[1122.00; 1142.20]
I	1142.00		NIST
I	1122.00		NIST
I	1132.00		NIST
I	1142.20		NIST
I	1122.20		NIST
I	1131.70		NIST
I	1142.20		NIST
I	1122.20		NIST
I	1131.70		NIST
I	1142.00		NIST
I	1131.70		NIST
Tboil	418.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.00; 408.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.61090e+01
Coefficient B			9.04900e-01
Coefficient C			-5.56980e-04
Coefficient D			1.27100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.00	J/mol×K	273.00	Calculated Property
Cp,gas	189.94	J/mol×K	353.78	Calculated Property
Cp,gas	232.37	J/mol×K	434.56	Calculated Property
Cp,gas	269.69	J/mol×K	515.33	Calculated Property
Cp,gas	302.31	J/mol×K	596.11	Calculated Property
Cp,gas	330.63	J/mol×K	676.89	Calculated Property
Cp,gas	355.05	J/mol×K	757.67	Calculated Property
Cp,gas	375.96	J/mol×K	838.44	Calculated Property
Cp,gas	393.78	J/mol×K	919.22	Calculated Property
Cp,gas	408.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052572; 0.0002325]	Pa×s	[197.57; 438.58]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.09233e+01
Coefficient B			1.12123e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			197.57
Temperature range, max.			438.58
η	0.0052572	Pa×s	197.57	Calculated Property
η	0.0026704	Pa×s	224.35	Calculated Property
η	0.0015672	Pa×s	251.13	Calculated Property
η	0.0010192	Pa×s	277.91	Calculated Property
η	0.0007150	Pa×s	304.69	Calculated Property
η	0.0005311	Pa×s	331.46	Calculated Property
η	0.0004124	Pa×s	358.24	Calculated Property
η	0.0003317	Pa×s	385.02	Calculated Property
η	0.0002745	Pa×s	411.80	Calculated Property
η	0.0002325	Pa×s	438.58	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene,3-(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.