Chemical Properties of 1,4-Cyclohexanediacetic acid, dimethyl ester

InChI

InChI=1S/C12H20O4/c1-15-11(13)7-9-3-5-10(6-4-9)8-12(14)16-2/h9-10H,3-8H2,1-2H3

InChI Key

BPNODYPKYHGPEF-UHFFFAOYSA-N

Formula

C12H20O4

SMILES

COC(=O)CC1CCC(CC(=O)OC)CC1

Molecular Weight¹

228.29

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.87; 646.37]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.68680e+01
Coefficient B			1.12984e+00
Coefficient C			-4.65400e-04
Coefficient D			-1.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.87	J/mol×K	273.00	Calculated Property
Cp,gas	324.54	J/mol×K	353.78	Calculated Property
Cp,gas	386.13	J/mol×K	434.56	Calculated Property
Cp,gas	441.62	J/mol×K	515.33	Calculated Property
Cp,gas	491.01	J/mol×K	596.11	Calculated Property
Cp,gas	534.30	J/mol×K	676.89	Calculated Property
Cp,gas	571.49	J/mol×K	757.67	Calculated Property
Cp,gas	602.56	J/mol×K	838.44	Calculated Property
Cp,gas	627.53	J/mol×K	919.22	Calculated Property
Cp,gas	646.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039763; 0.0002008]	Pa×s	[312.80; 564.12]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22294e+01
Coefficient B			2.09638e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			312.80
Temperature range, max.			564.12
η	0.0039763	Pa×s	312.80	Calculated Property
η	0.0022958	Pa×s	340.72	Calculated Property
η	0.0014405	Pa×s	368.65	Calculated Property
η	0.0009652	Pa×s	396.57	Calculated Property
η	0.0006817	Pa×s	424.50	Calculated Property
η	0.0005026	Pa×s	452.42	Calculated Property
η	0.0003839	Pa×s	480.35	Calculated Property
η	0.0003021	Pa×s	508.27	Calculated Property
η	0.0002437	Pa×s	536.20	Calculated Property
η	0.0002008	Pa×s	564.12	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexanediacetic acid, dimethyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.