Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dimethyl ester

InChI

InChI=1S/C10H16O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h7-8H,3-6H2,1-2H3

InChI Key

AIACXWOETVLBIA-UHFFFAOYSA-N

Formula

C10H16O4

SMILES

COC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

200.23

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-784.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.30	kJ/mol	Joback Calculated Property
ΔvapH°	75.42	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.139		Crippen Calculated Property
McVol	155.780	ml/mol	McGowan Calculated Property
Inp	[1429.00; 1429.00]
Inp	1429.00		NIST
Inp	1429.00		NIST
Tboil	509.85	K	Relay (1.0) Calculated Property
Tfus	323.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.44; 543.19]	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			-1.50500e+01
Coefficient B			9.39840e-01
Coefficient C			-3.56600e-04
Coefficient D			-2.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.44	J/mol×K	273.00	Calculated Property
Cp,gas	271.71	J/mol×K	353.78	Calculated Property
Cp,gas	323.97	J/mol×K	434.56	Calculated Property
Cp,gas	371.16	J/mol×K	515.33	Calculated Property
Cp,gas	413.19	J/mol×K	596.11	Calculated Property
Cp,gas	449.98	J/mol×K	676.89	Calculated Property
Cp,gas	481.45	J/mol×K	757.67	Calculated Property
Cp,gas	507.53	J/mol×K	838.44	Calculated Property
Cp,gas	528.14	J/mol×K	919.22	Calculated Property
Cp,gas	543.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045670; 0.0002238]	Pa×s	[290.26; 536.32]	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			-1.19625e+01
Coefficient B			1.90806e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			290.26
Temperature range, max.			536.32
η	0.0045670	Pa×s	290.26	Calculated Property
η	0.0025935	Pa×s	317.60	Calculated Property
η	0.0016110	Pa×s	344.94	Calculated Property
η	0.0010731	Pa×s	372.28	Calculated Property
η	0.0007557	Pa×s	399.62	Calculated Property
η	0.0005567	Pa×s	426.96	Calculated Property
η	0.0004254	Pa×s	454.30	Calculated Property
η	0.0003352	Pa×s	481.64	Calculated Property
η	0.0002709	Pa×s	508.98	Calculated Property
η	0.0002238	Pa×s	536.32	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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