Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl pentyl ester

InChI

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

InChI Key

WAYRRKZSEKLNOA-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CCCCCOC(=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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfusH°	41.72	kJ/mol	Joback Calculated Property
log10WS	-4.37		Relay (1.0) Calculated Property
logPoct/wat	3.891		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Inp	[2056.00; 2056.00]
Inp	2056.00		NIST
Inp	2056.00		NIST
Tboil	599.90	K	Relay (1.0) Calculated Property
Tfus	253.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[377.36; 925.16]	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			-1.62240e+01
Coefficient B			1.64976e+00
Coefficient C			-7.82280e-04
Coefficient D			7.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.36	J/mol×K	273.00	Calculated Property
Cp,gas	472.79	J/mol×K	353.78	Calculated Property
Cp,gas	559.03	J/mol×K	434.56	Calculated Property
Cp,gas	636.32	J/mol×K	515.33	Calculated Property
Cp,gas	704.89	J/mol×K	596.11	Calculated Property
Cp,gas	764.98	J/mol×K	676.89	Calculated Property
Cp,gas	816.81	J/mol×K	757.67	Calculated Property
Cp,gas	860.63	J/mol×K	838.44	Calculated Property
Cp,gas	896.67	J/mol×K	919.22	Calculated Property
Cp,gas	925.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026100; 0.0001140]	Pa×s	[366.18; 654.30]	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			-1.30580e+01
Coefficient B			2.60340e+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.			366.18
Temperature range, max.			654.30
η	0.0026100	Pa×s	366.18	Calculated Property
η	0.0014737	Pa×s	398.19	Calculated Property
η	0.0009060	Pa×s	430.21	Calculated Property
η	0.0005958	Pa×s	462.22	Calculated Property
η	0.0004137	Pa×s	494.23	Calculated Property
η	0.0003003	Pa×s	526.24	Calculated Property
η	0.0002261	Pa×s	558.26	Calculated Property
η	0.0001756	Pa×s	590.27	Calculated Property
η	0.0001399	Pa×s	622.28	Calculated Property
η	0.0001140	Pa×s	654.30	Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl pentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.