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_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_boilr : Boiling point at reduced pressure (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°	-186.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-377.53	kJ/mol	Joback Calculated Property
ΔfusH°	6.90	kJ/mol	Joback Calculated Property
ΔvapH°	41.66	kJ/mol	Joback Calculated Property
log10WS	-1.69		Crippen Calculated Property
logPoct/wat	1.740		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Pc	3399.94	kPa	Joback Calculated Property
Inp	[925.00; 925.00]
Inp	925.00		NIST
Inp	925.00		NIST
Inp	925.00		NIST
Tboil	474.25	K	Joback Calculated Property
Tc	686.75	K	Joback Calculated Property
Tfus	286.88	K	Joback Calculated Property
Vc	0.447	m3/kmol	Joback Calculated Property

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

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

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