Chemical Properties of 3-methyl-1-(1-methylethyl)cyclopentene (CAS 51115-02-7)

InChI

InChI=1S/C9H16/c1-7(2)9-5-4-8(3)6-9/h6-8H,4-5H2,1-3H3

InChI Key

ACQWMMUVHAXRPF-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC1C=C(C(C)C)CC1

Molecular Weight¹

124.22

CAS

51115-02-7

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-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	-46.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.31	kJ/mol	Joback Calculated Property
ΔvapH°	40.89	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Inp	[933.20; 933.20]
Inp	933.20		NIST
Inp	933.20		NIST
Tboil	409.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[158.94; 433.14]	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			-4.53800e+01
Coefficient B			8.80960e-01
Coefficient C			-5.16640e-04
Coefficient D			1.14200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.94	J/mol×K	273.00	Calculated Property
Cp,gas	206.68	J/mol×K	353.78	Calculated Property
Cp,gas	249.26	J/mol×K	434.56	Calculated Property
Cp,gas	287.03	J/mol×K	515.33	Calculated Property
Cp,gas	320.37	J/mol×K	596.11	Calculated Property
Cp,gas	349.64	J/mol×K	676.89	Calculated Property
Cp,gas	375.18	J/mol×K	757.67	Calculated Property
Cp,gas	397.38	J/mol×K	838.44	Calculated Property
Cp,gas	416.57	J/mol×K	919.22	Calculated Property
Cp,gas	433.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033599; 0.0002517]	Pa×s	[200.37; 436.62]	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			-1.04849e+01
Coefficient B			9.59580e+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.			200.37
Temperature range, max.			436.62
η	0.0033599	Pa×s	200.37	Calculated Property
η	0.0019293	Pa×s	226.62	Calculated Property
η	0.0012431	Pa×s	252.87	Calculated Property
η	0.0008700	Pa×s	279.12	Calculated Property
η	0.0006474	Pa×s	305.37	Calculated Property
η	0.0005048	Pa×s	331.62	Calculated Property
η	0.0004083	Pa×s	357.87	Calculated Property
η	0.0003399	Pa×s	384.12	Calculated Property
η	0.0002897	Pa×s	410.37	Calculated Property
η	0.0002517	Pa×s	436.62	Calculated Property

Similar Compounds

Find more compounds similar to 3-methyl-1-(1-methylethyl)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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