Chemical Properties of Cyclopentanecarboxylic acid, 1-methyl-, methyl ester (CAS 4630-83-5)

InChI

InChI=1S/C8H14O2/c1-8(7(9)10-2)5-3-4-6-8/h3-6H2,1-2H3

InChI Key

SUCGJXDLZCDFRV-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

COC(=O)C1(C)CCCC1

Molecular Weight¹

142.20

CAS

4630-83-5

Other Names

• Cyclopentanoic acid, 1-methyl, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	6.90	kJ/mol	Joback Calculated Property
ΔvapH°	50.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
logPoct/wat	1.740		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Inp	[925.00; 925.00]
Inp	925.00		NIST
Inp	925.00		NIST
Inp	925.00		NIST
Tboil	429.31	K	Relay (1.0) Calculated Property
Tfus	250.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.24; 342.56]	J/mol×K	[474.25; 686.75]
Cp,gas	264.24	J/mol×K	474.25	Joback Calculated Property
Cp,gas	279.45	J/mol×K	509.67	Joback Calculated Property
Cp,gas	293.67	J/mol×K	545.08	Joback Calculated Property
Cp,gas	307.00	J/mol×K	580.50	Joback Calculated Property
Cp,gas	319.52	J/mol×K	615.92	Joback Calculated Property
Cp,gas	331.34	J/mol×K	651.34	Joback Calculated Property
Cp,gas	342.56	J/mol×K	686.75	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[359.70; 432.70]	K	[2.70; 96.10]
Tboilr	359.70	K	2.70	NIST
Tboilr	432.70	K	96.10	NIST

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 1-methyl-, methyl ester.

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

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.
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