Chemical Properties of Cyclohexanecarboxylic acid, 1-propyl-, methyl ester (CAS 4630-86-8)

InChI

InChI=1S/C11H20O2/c1-3-7-11(10(12)13-2)8-5-4-6-9-11/h3-9H2,1-2H3

InChI Key

KWFNANKQDJOTPK-UHFFFAOYSA-N

Formula

C11H20O2

SMILES

CCCC1(C(=O)OC)CCCCC1

Molecular Weight¹

184.28

CAS

4630-86-8

Other Names

• Methyl 1-propyl-1-cyclohexanecarboxylate

• 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°	-173.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-445.61	kJ/mol	Joback Calculated Property
ΔfusH°	12.57	kJ/mol	Joback Calculated Property
ΔvapH°	48.51	kJ/mol	Joback Calculated Property
log10WS	-2.94		Crippen Calculated Property
logPoct/wat	2.910		Crippen Calculated Property
McVol	162.430	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Inp	[1200.00; 1200.00]
Inp	1200.00		NIST
Inp	1200.00		NIST
Tboil	547.16	K	Joback Calculated Property
Tc	757.58	K	Joback Calculated Property
Tfus	317.17	K	Joback Calculated Property
Vc	0.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.30; 499.81]	J/mol×K	[547.16; 757.58]
Cp,gas	403.30	J/mol×K	547.16	Joback Calculated Property
Cp,gas	421.68	J/mol×K	582.23	Joback Calculated Property
Cp,gas	439.01	J/mol×K	617.30	Joback Calculated Property
Cp,gas	455.40	J/mol×K	652.37	Joback Calculated Property
Cp,gas	470.93	J/mol×K	687.44	Joback Calculated Property
Cp,gas	485.70	J/mol×K	722.51	Joback Calculated Property
Cp,gas	499.81	J/mol×K	757.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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