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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5189		Relay (1.0) Calculated Property
ΔfG°	-196.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.43	kJ/mol	Joback Calculated Property
ΔvapH°	71.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-1.20		Relay (1.0) 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	473.11	K	Relay (1.0) Calculated Property
Tc	687.36	K	Relay (1.0) Calculated Property
Tfus	334.00	K	Relay (1.0) Calculated Property
Vc	0.347	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.