Chemical Properties of Cyclohexene, 3-ethenyl- (CAS 766-03-0)

InChI

InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2,4,6,8H,1,3,5,7H2

InChI Key

YYTUUFMWKBIPEY-UHFFFAOYSA-N

Formula

C8H12

SMILES

C=CC1C=CCCC1

Molecular Weight¹

108.18

CAS

766-03-0

• 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.
• 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
ΔfusH°	8.25	kJ/mol	Joback Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Inp	[825.00; 833.00]
Inp	825.00		NIST
Inp	833.00		NIST
Inp	825.00		NIST
Tboil	[401.90; 401.90]	K
Tboil	401.90 ± 0.80	K	NIST
Tboil	401.90 ± 0.40	K	NIST
Tfus	173.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[120.79; 357.32]	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			-6.52000e+01
Coefficient B			8.09900e-01
Coefficient C			-5.02580e-04
Coefficient D			1.15200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.79	J/mol×K	273.00	Calculated Property
Cp,gas	163.52	J/mol×K	353.78	Calculated Property
Cp,gas	201.29	J/mol×K	434.56	Calculated Property
Cp,gas	234.46	J/mol×K	515.33	Calculated Property
Cp,gas	263.40	J/mol×K	596.11	Calculated Property
Cp,gas	288.47	J/mol×K	676.89	Calculated Property
Cp,gas	310.03	J/mol×K	757.67	Calculated Property
Cp,gas	328.45	J/mol×K	838.44	Calculated Property
Cp,gas	344.09	J/mol×K	919.22	Calculated Property
Cp,gas	357.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048287; 0.0002195]	Pa×s	[186.30; 424.05]	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			-1.08462e+01
Coefficient B			1.02707e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			186.30
Temperature range, max.			424.05
η	0.0048287	Pa×s	186.30	Calculated Property
η	0.0024350	Pa×s	212.72	Calculated Property
η	0.0014284	Pa×s	239.13	Calculated Property
η	0.0009317	Pa×s	265.55	Calculated Property
η	0.0006566	Pa×s	291.97	Calculated Property
η	0.0004904	Pa×s	318.38	Calculated Property
η	0.0003830	Pa×s	344.80	Calculated Property
η	0.0003099	Pa×s	371.22	Calculated Property
η	0.0002578	Pa×s	397.63	Calculated Property
η	0.0002195	Pa×s	424.05	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 3-ethenyl-.

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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