Chemical Properties of Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester

InChI

InChI=1S/C9H16O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-7H2,1-2H3

InChI Key

NKZISBBWNQEPAH-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

COC(=O)C1(C)CCCCC1

Molecular Weight¹

156.22

• 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	0.3599		Relay (1.0) Calculated Property
ΔfG°	-190.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.39	kJ/mol	Joback Calculated Property
ΔvapH°	51.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.130		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Pc	3135.00	kPa	Joback Calculated Property
Inp	[1026.00; 1026.00]
Inp	1026.00		NIST
Inp	1026.00		NIST
Inp	1026.00		NIST
Tboil	451.64	K	Relay (1.0) Calculated Property
Tc	664.79	K	Relay (1.0) Calculated Property
Tfus	264.62	K	Relay (1.0) Calculated Property
Vc	0.461	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.50; 396.78]	J/mol×K	[501.40; 718.78]
Cp,gas	308.50	J/mol×K	501.40	Joback Calculated Property
Cp,gas	325.53	J/mol×K	537.63	Joback Calculated Property
Cp,gas	341.50	J/mol×K	573.86	Joback Calculated Property
Cp,gas	356.52	J/mol×K	610.09	Joback Calculated Property
Cp,gas	370.67	J/mol×K	646.32	Joback Calculated Property
Cp,gas	384.06	J/mol×K	682.55	Joback Calculated Property
Cp,gas	396.78	J/mol×K	718.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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