Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylbutyl) ester

InChI

InChI=1S/C18H30O4/c1-5-13(3)11-21-17(19)15-9-7-8-10-16(15)18(20)22-12-14(4)6-2/h7-8,13-16H,5-6,9-12H2,1-4H3

InChI Key

DZWIAYAUFVOENZ-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCC(C)COC(=O)C1CC=CCC1C(=O)OCC(C)CC

Molecular Weight¹

310.43

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.20	kJ/mol	Joback Calculated Property
logPoct/wat	3.747		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Inp	[2019.00; 2019.00]
Inp	2019.00		NIST
Inp	2019.00		NIST
Tboil	599.05	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, 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	[377.05; 925.69]	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			-1.79060e+01
Coefficient B			1.65568e+00
Coefficient C			-7.85480e-04
Coefficient D			7.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.05	J/mol×K	273.00	Calculated Property
Cp,gas	472.78	J/mol×K	353.78	Calculated Property
Cp,gas	559.27	J/mol×K	434.56	Calculated Property
Cp,gas	636.77	J/mol×K	515.33	Calculated Property
Cp,gas	705.49	J/mol×K	596.11	Calculated Property
Cp,gas	765.68	J/mol×K	676.89	Calculated Property
Cp,gas	817.56	J/mol×K	757.67	Calculated Property
Cp,gas	861.37	J/mol×K	838.44	Calculated Property
Cp,gas	897.34	J/mol×K	919.22	Calculated Property
Cp,gas	925.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034443; 0.0001047]	Pa×s	[351.18; 655.80]	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			-1.31920e+01
Coefficient B			2.64122e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			351.18
Temperature range, max.			655.80
η	0.0034443	Pa×s	351.18	Calculated Property
η	0.0017781	Pa×s	385.03	Calculated Property
η	0.0010215	Pa×s	418.87	Calculated Property
η	0.0006375	Pa×s	452.72	Calculated Property
η	0.0004249	Pa×s	486.57	Calculated Property
η	0.0002985	Pa×s	520.41	Calculated Property
η	0.0002189	Pa×s	554.26	Calculated Property
η	0.0001664	Pa×s	588.11	Calculated Property
η	0.0001303	Pa×s	621.96	Calculated Property
η	0.0001047	Pa×s	655.80	Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylbutyl) 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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