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

InChI

InChI=1S/C19H30O4/c1-14(2)12-22-18(20)16-10-6-7-11-17(16)19(21)23-13-15-8-4-3-5-9-15/h3-4,14-17H,5-13H2,1-2H3

InChI Key

YUCZHEXLLRNOJX-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)OCC1CC=CCC1

Molecular Weight¹

322.44

• 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°	36.14	kJ/mol	Joback Calculated Property
logPoct/wat	3.891		Crippen Calculated Property
McVol	267.430	ml/mol	McGowan Calculated Property
Inp	[2270.00; 2270.00]
Inp	2270.00		NIST
Inp	2270.00		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	[360.46; 961.82]	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			-8.27380e+01
Coefficient B			1.86684e+00
Coefficient C			-9.17680e-04
Coefficient D			9.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	360.46	J/mol×K	273.00	Calculated Property
Cp,gas	467.08	J/mol×K	353.78	Calculated Property
Cp,gas	563.04	J/mol×K	434.56	Calculated Property
Cp,gas	648.66	J/mol×K	515.33	Calculated Property
Cp,gas	724.22	J/mol×K	596.11	Calculated Property
Cp,gas	790.03	J/mol×K	676.89	Calculated Property
Cp,gas	846.40	J/mol×K	757.67	Calculated Property
Cp,gas	893.62	J/mol×K	838.44	Calculated Property
Cp,gas	931.99	J/mol×K	919.22	Calculated Property
Cp,gas	961.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027084; 0.0000998]	Pa×s	[384.83; 699.85]	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			-1.32441e+01
Coefficient B			2.82183e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			384.83
Temperature range, max.			699.85
η	0.0027084	Pa×s	384.83	Calculated Property
η	0.0014696	Pa×s	419.83	Calculated Property
η	0.0008761	Pa×s	454.83	Calculated Property
η	0.0005624	Pa×s	489.84	Calculated Property
η	0.0003830	Pa×s	524.84	Calculated Property
η	0.0002737	Pa×s	559.84	Calculated Property
η	0.0002034	Pa×s	594.84	Calculated Property
η	0.0001563	Pa×s	629.84	Calculated Property
η	0.0001234	Pa×s	664.85	Calculated Property
η	0.0000998	Pa×s	699.85	Calculated Property

Similar Compounds

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