Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, ethyl methyl ester

InChI

InChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3

InChI Key

KTQLZENVPSGMMQ-UHFFFAOYSA-N

Formula

C11H18O4

SMILES

CCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

214.26

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.5148		Relay (1.0) Calculated Property
ΔfG°	-409.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-815.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.73	kJ/mol	Joback Calculated Property
ΔvapH°	74.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	1.529		Crippen Calculated Property
McVol	169.870	ml/mol	McGowan Calculated Property
Pc	2475.19	kPa	Joback Calculated Property
Inp	[1483.00; 1483.00]
Inp	1483.00		NIST
Inp	1483.00		NIST
Tboil	521.75	K	Relay (1.0) Calculated Property
Tc	735.66	K	Relay (1.0) Calculated Property
Tfus	300.30	K	Relay (1.0) Calculated Property
Vc	0.602	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.32; 546.22]	J/mol×K	[618.54; 826.40]
Cp,gas	457.32	J/mol×K	618.54	Joback Calculated Property
Cp,gas	474.52	J/mol×K	653.18	Joback Calculated Property
Cp,gas	490.77	J/mol×K	687.83	Joback Calculated Property
Cp,gas	506.08	J/mol×K	722.47	Joback Calculated Property
Cp,gas	520.42	J/mol×K	757.11	Joback Calculated Property
Cp,gas	533.81	J/mol×K	791.76	Joback Calculated Property
Cp,gas	546.22	J/mol×K	826.40	Joback Calculated Property
η	[0.0002105; 0.0020110]	Pa×s	[361.19; 618.54]
η	0.0020110	Pa×s	361.19	Joback Calculated Property
η	0.0011307	Pa×s	404.08	Joback Calculated Property
η	0.0007100	Pa×s	446.97	Joback Calculated Property
η	0.0004837	Pa×s	489.87	Joback Calculated Property
η	0.0003505	Pa×s	532.76	Joback Calculated Property
η	0.0002665	Pa×s	575.65	Joback Calculated Property
η	0.0002105	Pa×s	618.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, ethyl methyl ester.

Sources

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

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