Chemical Properties of Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester (CAS 4630-81-3)

InChI

InChI=1S/C10H18O2/c1-3-10(9(11)12-2)7-5-4-6-8-10/h3-8H2,1-2H3

InChI Key

JPAPFFYGFBXJAK-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CCC1(C(=O)OC)CCCCC1

Molecular Weight¹

170.25

CAS

4630-81-3

Other Names

• Methyl 1-ethyl-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°	-181.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-424.97	kJ/mol	Joback Calculated Property
ΔfusH°	9.98	kJ/mol	Joback Calculated Property
ΔvapH°	46.29	kJ/mol	Joback Calculated Property
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	2.520		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Pc	2823.32	kPa	Joback Calculated Property
Inp	[1122.00; 1122.00]
Inp	1122.00		NIST
Inp	1122.00		NIST
Tboil	524.28	K	Joback Calculated Property
Tc	738.14	K	Joback Calculated Property
Tfus	305.90	K	Joback Calculated Property
Vc	0.550	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[355.04; 447.71]	J/mol×K	[524.28; 738.14]
Cp,gas	355.04	J/mol×K	524.28	Joback Calculated Property
Cp,gas	372.80	J/mol×K	559.92	Joback Calculated Property
Cp,gas	389.50	J/mol×K	595.57	Joback Calculated Property
Cp,gas	405.24	J/mol×K	631.21	Joback Calculated Property
Cp,gas	420.13	J/mol×K	666.86	Joback Calculated Property
Cp,gas	434.25	J/mol×K	702.50	Joback Calculated Property
Cp,gas	447.71	J/mol×K	738.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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