Chemical Properties of CYCLOPENTANE, 1-METHYL-3-(2-METHYL-1-PROPENYL)-

InChI

InChI=1S/C10H18/c1-8(2)6-10-5-4-9(3)7-10/h6,9-10H,4-5,7H2,1-3H3

InChI Key

ZNVLSGKSXSJTNY-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC(C)=CC1CCC(C)C1

Molecular Weight¹

138.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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	-93.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.55	kJ/mol	Joback Calculated Property
ΔvapH°	45.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
logPoct/wat	3.389		Crippen Calculated Property
McVol	136.600	ml/mol	McGowan Calculated Property
Inp	[968.00; 975.00]
Inp	972.00		NIST
Inp	975.00		NIST
Inp	969.00		NIST
Inp	971.00		NIST
Inp	975.00		NIST
Inp	968.00		NIST
Inp	972.00		NIST
Inp	968.00		NIST
Tboil	443.21	K	Relay (1.0) Calculated Property
Tc	623.19	K	Relay (1.0) Calculated Property
Tfus	192.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[172.81; 494.34]	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			-7.46200e+01
Coefficient B			1.07896e+00
Coefficient C			-6.78300e-04
Coefficient D			1.68300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.81	J/mol×K	273.00	Calculated Property
Cp,gas	229.65	J/mol×K	353.78	Calculated Property
Cp,gas	279.97	J/mol×K	434.56	Calculated Property
Cp,gas	324.30	J/mol×K	515.33	Calculated Property
Cp,gas	363.18	J/mol×K	596.11	Calculated Property
Cp,gas	397.13	J/mol×K	676.89	Calculated Property
Cp,gas	426.69	J/mol×K	757.67	Calculated Property
Cp,gas	452.39	J/mol×K	838.44	Calculated Property
Cp,gas	474.76	J/mol×K	919.22	Calculated Property
Cp,gas	494.34	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to CYCLOPENTANE, 1-METHYL-3-(2-METHYL-1-PROPENYL)-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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