Chemical Properties of 2-Cyclopentene-1-carboxylic acid, 1-methyl- (CAS 68317-77-1)

InChI

InChI=1S/C7H10O2/c1-7(6(8)9)4-2-3-5-7/h2,4H,3,5H2,1H3,(H,8,9)

InChI Key

HGSACGMRDLYHMZ-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

CC1(C(=O)O)C=CCC1

Molecular Weight¹

126.15

CAS

68317-77-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• 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
ΔfG°	-196.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.12	kJ/mol	Joback Calculated Property
ΔfusH°	8.43	kJ/mol	Joback Calculated Property
ΔvapH°	54.00	kJ/mol	Joback Calculated Property
log10WS	-1.36		Crippen Calculated Property
logPoct/wat	1.427		Crippen Calculated Property
McVol	101.770	ml/mol	McGowan Calculated Property
Pc	4602.62	kPa	Joback Calculated Property
Inp	[1073.00; 1085.00]
Inp	1085.00		NIST
Inp	1073.00		NIST
Inp	1085.00		NIST
Tboil	520.29	K	Joback Calculated Property
Tc	725.51	K	Joback Calculated Property
Tfus	314.96	K	Joback Calculated Property
Vc	0.378	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.20; 286.30]	J/mol×K	[520.29; 725.51]
Cp,gas	232.20	J/mol×K	520.29	Joback Calculated Property
Cp,gas	242.80	J/mol×K	554.49	Joback Calculated Property
Cp,gas	252.63	J/mol×K	588.70	Joback Calculated Property
Cp,gas	261.79	J/mol×K	622.90	Joback Calculated Property
Cp,gas	270.39	J/mol×K	657.10	Joback Calculated Property
Cp,gas	278.53	J/mol×K	691.30	Joback Calculated Property
Cp,gas	286.30	J/mol×K	725.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopentene-1-carboxylic acid, 1-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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