Chemical Properties of 3-Isopropylcyclopentene (CAS 4276-45-3)

InChI

InChI=1S/C8H14/c1-7(2)8-5-3-4-6-8/h3,5,7-8H,4,6H2,1-2H3

InChI Key

WGGDPEMWUJIPOF-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC(C)C1C=CCC1

Molecular Weight¹

110.20

CAS

4276-45-3

Other Names

• Cyclopentene,3-(1-methylethyl)-
• 3-[1-Methylethyl]-1-cyclopentene
• 3-Isopropylcyclopentene-1

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2439		Relay (1.0) Calculated Property
ΔfH°gas	-39.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.11	kJ/mol	Joback Calculated Property
ΔvapH°	37.61	kJ/mol	Relay (1.0) Calculated Property
IE	[8.81; 8.85]	eV
IE	8.81 ± 0.02	eV	NIST
IE	8.85 ± 0.05	eV	NIST
logPoct/wat	2.609		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Pc	3220.98	kPa	Joback Calculated Property
Inp	[789.70; 834.00]
Inp	795.00		NIST
Inp	800.00		NIST
Inp	803.00		NIST
Inp	Outlier 825.00		NIST
Inp	Outlier 834.00		NIST
Inp	789.70		NIST
Inp	794.90		NIST
Inp	800.00		NIST
Inp	790.00		NIST
Inp	795.00		NIST
Inp	800.00		NIST
Inp	793.00		NIST
Inp	803.00		NIST
Inp	793.00		NIST
Inp	795.00		NIST
Inp	789.70		NIST
Inp	800.00		NIST
Ip	[913.00; 928.30]
Ip	928.00		NIST
Ip	913.00		NIST
Ip	921.00		NIST
Ip	928.00		NIST
Ip	928.30		NIST
Ip	913.10		NIST
Ip	921.10		NIST
Ip	928.30		NIST
Ip	913.10		NIST
Ip	921.10		NIST
Tboil	[394.00; 400.80]	K
Tboil	394.40 ± 0.40	K	NIST
Tboil	394.00 ± 3.00	K	NIST
Tboil	394.40 ± 1.00	K	NIST
Tboil	400.80 ± 1.50	K	NIST
Tc	584.09	K	Relay (1.0) Calculated Property
Tfus	152.09	K	Relay (1.0) Calculated Property
Vc	0.390	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[135.18; 384.59]	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			-5.87700e+01
Coefficient B			8.45440e-01
Coefficient C			-5.29280e-04
Coefficient D			1.27200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.18	J/mol×K	273.00	Calculated Property
Cp,gas	179.72	J/mol×K	353.78	Calculated Property
Cp,gas	219.11	J/mol×K	434.56	Calculated Property
Cp,gas	253.76	J/mol×K	515.33	Calculated Property
Cp,gas	284.07	J/mol×K	596.11	Calculated Property
Cp,gas	310.44	J/mol×K	676.89	Calculated Property
Cp,gas	333.28	J/mol×K	757.67	Calculated Property
Cp,gas	352.98	J/mol×K	838.44	Calculated Property
Cp,gas	369.95	J/mol×K	919.22	Calculated Property
Cp,gas	384.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049498; 0.0002477]	Pa×s	[176.58; 417.36]	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			-1.04997e+01
Coefficient B			9.16680e+02
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.			176.58
Temperature range, max.			417.36
η	0.0049498	Pa×s	176.58	Calculated Property
η	0.0025001	Pa×s	203.33	Calculated Property
η	0.0014801	Pa×s	230.09	Calculated Property
η	0.0009774	Pa×s	256.84	Calculated Property
η	0.0006980	Pa×s	283.59	Calculated Property
η	0.0005282	Pa×s	310.35	Calculated Property
η	0.0004179	Pa×s	337.10	Calculated Property
η	0.0003421	Pa×s	363.85	Calculated Property
η	0.0002879	Pa×s	390.60	Calculated Property
η	0.0002477	Pa×s	417.36	Calculated Property

Similar Compounds

Find more compounds similar to 3-Isopropylcyclopentene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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