Chemical Properties of 1-(2-Propenyl)cyclopentene (CAS 37689-19-3)

InChI

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

InChI Key

PHBGIFRCMRLXFK-UHFFFAOYSA-N

Formula

C8H12

SMILES

C=CCC1=CCCC1

Molecular Weight¹

108.18

CAS

37689-19-3

Other Names

• Cyclopentene,1-(2-propenyl)-
• 1-Allylcyclopentene-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_p : 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	108.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.89	kJ/mol	Joback Calculated Property
ΔvapH°	40.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.60 ± 0.01	eV	NIST
logPoct/wat	2.673		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Inp	[812.00; 856.00]
Inp	822.00		NIST
Inp	851.00		NIST
Inp	Outlier 856.00		NIST
Inp	812.50		NIST
Inp	818.20		NIST
Inp	821.60		NIST
Inp	812.00		NIST
Inp	818.00		NIST
Inp	822.00		NIST
Inp	822.00		NIST
Inp	822.00		NIST
Inp	821.60		NIST
Ip	[1007.00; 1026.00]
Ip	1020.00		NIST
Ip	1026.00		NIST
Ip	Outlier 1007.00		NIST
Ip	1013.00		NIST
Ip	1020.00		NIST
Ip	1024.40		NIST
Ip	1011.50		NIST
Ip	1018.80		NIST
Ip	1024.40		NIST
Ip	1011.50		NIST
Ip	1018.80		NIST
Ip	1020.00		NIST
Ip	1024.40		NIST
Ip	1018.80		NIST
Tboil	403.36	K	Relay (1.0) Calculated Property
Tfus	163.35	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	[125.97; 345.84]	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			-5.17190e+01
Coefficient B			7.86500e-01
Coefficient C			-5.37340e-04
Coefficient D			1.48400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.97	J/mol×K	273.00	Calculated Property
Cp,gas	165.85	J/mol×K	353.78	Calculated Property
Cp,gas	200.77	J/mol×K	434.56	Calculated Property
Cp,gas	231.20	J/mol×K	515.33	Calculated Property
Cp,gas	257.61	J/mol×K	596.11	Calculated Property
Cp,gas	280.48	J/mol×K	676.89	Calculated Property
Cp,gas	300.27	J/mol×K	757.67	Calculated Property
Cp,gas	317.44	J/mol×K	838.44	Calculated Property
Cp,gas	332.48	J/mol×K	919.22	Calculated Property
Cp,gas	345.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030507; 0.0002496]	Pa×s	[206.58; 423.30]	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			-1.06822e+01
Coefficient B			1.01013e+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.			206.58
Temperature range, max.			423.30
η	0.0030507	Pa×s	206.58	Calculated Property
η	0.0018311	Pa×s	230.66	Calculated Property
η	0.0012104	Pa×s	254.74	Calculated Property
η	0.0008594	Pa×s	278.82	Calculated Property
η	0.0006443	Pa×s	302.90	Calculated Property
η	0.0005040	Pa×s	326.98	Calculated Property
η	0.0004078	Pa×s	351.06	Calculated Property
η	0.0003390	Pa×s	375.14	Calculated Property
η	0.0002882	Pa×s	399.22	Calculated Property
η	0.0002496	Pa×s	423.30	Calculated Property

Similar Compounds

Find more compounds similar to 1-(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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