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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.29; 399.21]	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			-5.77490e+01
Coefficient B			8.71900e-01
Coefficient C			-5.45340e-04
Coefficient D			1.30400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.29	J/mol×K	273.00	Calculated Property
Cp,gas	188.23	J/mol×K	353.78	Calculated Property
Cp,gas	228.86	J/mol×K	434.56	Calculated Property
Cp,gas	264.59	J/mol×K	515.33	Calculated Property
Cp,gas	295.84	J/mol×K	596.11	Calculated Property
Cp,gas	323.01	J/mol×K	676.89	Calculated Property
Cp,gas	346.52	J/mol×K	757.67	Calculated Property
Cp,gas	366.78	J/mol×K	838.44	Calculated Property
Cp,gas	384.21	J/mol×K	919.22	Calculated Property
Cp,gas	399.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054593; 0.0002230]	Pa×s	[214.33; 446.67]	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			-1.13583e+01
Coefficient B			1.31766e+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.			214.33
Temperature range, max.			446.67
η	0.0054593	Pa×s	214.33	Calculated Property
η	0.0028191	Pa×s	240.15	Calculated Property
η	0.0016551	Pa×s	265.96	Calculated Property
η	0.0010677	Pa×s	291.78	Calculated Property
η	0.0007396	Pa×s	317.59	Calculated Property
η	0.0005415	Pa×s	343.41	Calculated Property
η	0.0004141	Pa×s	369.22	Calculated Property
η	0.0003279	Pa×s	395.04	Calculated Property
η	0.0002672	Pa×s	420.85	Calculated Property
η	0.0002230	Pa×s	446.67	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

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