Chemical Properties of 3-(2-Propenyl)cyclopentene (CAS 14564-97-7)

InChI

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

InChI Key

VWGHETFSGHHDRB-UHFFFAOYSA-N

Formula

C8H12

SMILES

C=CCC1C=CCC1

Molecular Weight¹

108.18

CAS

14564-97-7

Other Names

• 3-Allyl-1-cyclopentene
• 3-Allylcyclopentene-1
• 3-[2-Propenyl]-1-cyclopentene
• Cyclopentene,3-(2-propenyl)-

• 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).
• 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	100.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.35	kJ/mol	Joback Calculated Property
IE	8.89 ± 0.02	eV	NIST
logPoct/wat	2.529		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Inp	[797.00; 805.00]
Inp	797.00		NIST
Inp	800.00		NIST
Inp	801.20		NIST
Inp	805.00		NIST
Inp	800.00		NIST
Inp	802.00		NIST
Inp	805.00		NIST
Inp	797.00		NIST
I	[926.60; 992.00]
I	985.00		NIST
I	989.00		NIST
I	992.00		NIST
I	970.00		NIST
I	978.00		NIST
I	985.00		NIST
I	940.90		NIST
I	926.60		NIST
I	934.80		NIST
I	940.90		NIST
I	926.60		NIST
I	934.80		NIST
Tboil	392.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[125.68; 355.54]	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			-6.00790e+01
Coefficient B			8.19500e-01
Coefficient C			-5.48980e-04
Coefficient D			1.45100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.68	J/mol×K	273.00	Calculated Property
Cp,gas	167.56	J/mol×K	353.78	Calculated Property
Cp,gas	204.28	J/mol×K	434.56	Calculated Property
Cp,gas	236.30	J/mol×K	515.33	Calculated Property
Cp,gas	264.09	J/mol×K	596.11	Calculated Property
Cp,gas	288.10	J/mol×K	676.89	Calculated Property
Cp,gas	308.79	J/mol×K	757.67	Calculated Property
Cp,gas	326.62	J/mol×K	838.44	Calculated Property
Cp,gas	342.05	J/mol×K	919.22	Calculated Property
Cp,gas	355.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025787; 0.0002518]	Pa×s	[189.82; 415.06]	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			-1.02472e+01
Coefficient B			8.13700e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			189.82
Temperature range, max.			415.06
η	0.0025787	Pa×s	189.82	Calculated Property
η	0.0015651	Pa×s	214.85	Calculated Property
η	0.0010542	Pa×s	239.87	Calculated Property
η	0.0007652	Pa×s	264.90	Calculated Property
η	0.0005869	Pa×s	289.93	Calculated Property
η	0.0004696	Pa×s	314.95	Calculated Property
η	0.0003883	Pa×s	339.98	Calculated Property
η	0.0003295	Pa×s	365.00	Calculated Property
η	0.0002856	Pa×s	390.03	Calculated Property
η	0.0002518	Pa×s	415.06	Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Propenyl)cyclopentene.

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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