Chemical Properties of Cyclopentene,1-(2-methylpropyl)- (CAS 53098-47-8)

InChI

InChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h5,8H,3-4,6-7H2,1-2H3

InChI Key

AVBOQKCRSALLCN-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC(C)CC1=CCCC1

Molecular Weight¹

124.22

CAS

53098-47-8

Other Names

• 1-Isobutylcyclopentene-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	-86.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.24	kJ/mol	Joback Calculated Property
ΔvapH°	42.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.44 ± 0.01	eV	NIST
logPoct/wat	3.143		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Inp	[885.00; 892.00]
Inp	892.00		NIST
Inp	885.40		NIST
Inp	889.20		NIST
Inp	885.00		NIST
Inp	889.00		NIST
Inp	892.00		NIST
Inp	892.00		NIST
Ip	[988.00; 1003.00]
Ip	1003.00		NIST
Ip	988.00		NIST
Ip	997.00		NIST
Ip	1003.00		NIST
Ip	1002.60		NIST
Ip	988.30		NIST
Ip	996.40		NIST
Ip	1002.60		NIST
Ip	988.30		NIST
Ip	996.40		NIST
Ip	1003.00		NIST
Ip	988.30		NIST
Tboil	421.08	K	Relay (1.0) Calculated Property
Tfus	170.03	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	[156.68; 426.48]	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			-5.13190e+01
Coefficient B			9.07440e-01
Coefficient C			-5.72040e-04
Coefficient D			1.42400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.68	J/mol×K	273.00	Calculated Property
Cp,gas	204.42	J/mol×K	353.78	Calculated Property
Cp,gas	246.68	J/mol×K	434.56	Calculated Property
Cp,gas	283.89	J/mol×K	515.33	Calculated Property
Cp,gas	316.51	J/mol×K	596.11	Calculated Property
Cp,gas	344.98	J/mol×K	676.89	Calculated Property
Cp,gas	369.77	J/mol×K	757.67	Calculated Property
Cp,gas	391.31	J/mol×K	838.44	Calculated Property
Cp,gas	410.07	J/mol×K	919.22	Calculated Property
Cp,gas	426.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060147; 0.0002558]	Pa×s	[204.61; 440.18]	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			-1.10139e+01
Coefficient B			1.20727e+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.			204.61
Temperature range, max.			440.18
η	0.0060147	Pa×s	204.61	Calculated Property
η	0.0030803	Pa×s	230.78	Calculated Property
η	0.0018079	Pa×s	256.96	Calculated Property
η	0.0011709	Pa×s	283.13	Calculated Property
η	0.0008163	Pa×s	309.31	Calculated Property
η	0.0006020	Pa×s	335.48	Calculated Property
η	0.0004639	Pa×s	361.66	Calculated Property
η	0.0003704	Pa×s	387.83	Calculated Property
η	0.0003042	Pa×s	414.01	Calculated Property
η	0.0002558	Pa×s	440.18	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentene,1-(2-methylpropyl)-.

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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