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

InChI

InChI=1S/C22H24O4/c1-2-25-21(23)18-13-6-7-14-19(18)22(24)26-20-15-9-8-12-17(20)16-10-4-3-5-11-16/h3-5,8-12,15,18-19H,2,6-7,13-14H2,1H3

InChI Key

GMZVCHXNGJYGBY-UHFFFAOYSA-N

Formula

C22H24O4

SMILES

CCOC(=O)C1CCCCC1C(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

352.43

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.07	kJ/mol	Joback Calculated Property
logPoct/wat	4.628		Crippen Calculated Property
McVol	277.340	ml/mol	McGowan Calculated Property
Inp	[2605.00; 2605.00]
Inp	2605.00		NIST
Inp	2605.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[357.04; 922.19]	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			-7.94690e+01
Coefficient B			1.86252e+00
Coefficient C			-1.00476e-03
Coefficient D			1.43900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.04	J/mol×K	273.00	Calculated Property
Cp,gas	460.07	J/mol×K	353.78	Calculated Property
Cp,gas	551.97	J/mol×K	434.56	Calculated Property
Cp,gas	633.21	J/mol×K	515.33	Calculated Property
Cp,gas	704.24	J/mol×K	596.11	Calculated Property
Cp,gas	765.52	J/mol×K	676.89	Calculated Property
Cp,gas	817.50	J/mol×K	757.67	Calculated Property
Cp,gas	860.63	J/mol×K	838.44	Calculated Property
Cp,gas	895.38	J/mol×K	919.22	Calculated Property
Cp,gas	922.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007185; 0.0000669]	Pa×s	[490.86; 793.79]	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			-1.34591e+01
Coefficient B			3.05356e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			490.86
Temperature range, max.			793.79
η	0.0007185	Pa×s	490.86	Calculated Property
η	0.0004820	Pa×s	524.52	Calculated Property
η	0.0003393	Pa×s	558.18	Calculated Property
η	0.0002486	Pa×s	591.84	Calculated Property
η	0.0001883	Pa×s	625.50	Calculated Property
η	0.0001468	Pa×s	659.15	Calculated Property
η	0.0001172	Pa×s	692.81	Calculated Property
η	0.0000955	Pa×s	726.47	Calculated Property
η	0.0000793	Pa×s	760.13	Calculated Property
η	0.0000669	Pa×s	793.79	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl 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

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.