Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl ethyl ester

InChI

InChI=1S/C17H26O4/c1-2-20-16(18)14-10-6-7-11-15(14)17(19)21-12-13-8-4-3-5-9-13/h3-4,13-15H,2,5-12H2,1H3

InChI Key

IYQKQGJAPCBFID-UHFFFAOYSA-N

Formula

C17H26O4

SMILES

CCOC(=O)C1CCCCC1C(=O)OCC1CC=CCC1

Molecular Weight¹

294.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.49	kJ/mol	Joback Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
logPoct/wat	3.255		Crippen Calculated Property
McVol	239.250	ml/mol	McGowan Calculated Property
Inp	[2127.00; 2127.00]
Inp	2127.00		NIST
Inp	2127.00		NIST
Tboil	623.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[318.34; 858.10]	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			-7.92380e+01
Coefficient B			1.67092e+00
Coefficient C			-8.05680e-04
Coefficient D			7.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.34	J/mol×K	273.00	Calculated Property
Cp,gas	414.25	J/mol×K	353.78	Calculated Property
Cp,gas	500.64	J/mol×K	434.56	Calculated Property
Cp,gas	577.75	J/mol×K	515.33	Calculated Property
Cp,gas	645.79	J/mol×K	596.11	Calculated Property
Cp,gas	705.00	J/mol×K	676.89	Calculated Property
Cp,gas	755.61	J/mol×K	757.67	Calculated Property
Cp,gas	797.85	J/mol×K	838.44	Calculated Property
Cp,gas	831.93	J/mol×K	919.22	Calculated Property
Cp,gas	858.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026764; 0.0001328]	Pa×s	[377.29; 669.61]	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			-1.28031e+01
Coefficient B			2.59569e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			377.29
Temperature range, max.			669.61
η	0.0026764	Pa×s	377.29	Calculated Property
η	0.0015514	Pa×s	409.77	Calculated Property
η	0.0009743	Pa×s	442.25	Calculated Property
η	0.0006521	Pa×s	474.73	Calculated Property
η	0.0004594	Pa×s	507.21	Calculated Property
η	0.0003377	Pa×s	539.69	Calculated Property
η	0.0002570	Pa×s	572.17	Calculated Property
η	0.0002014	Pa×s	604.65	Calculated Property
η	0.0001618	Pa×s	637.13	Calculated Property
η	0.0001328	Pa×s	669.61	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl ethyl 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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