Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl nonyl ester

InChI

InChI=1S/C25H44O4/c1-4-7-9-10-11-12-15-19-28-24(26)22-17-13-14-18-23(22)25(27)29-20-21(6-3)16-8-5-2/h13-14,21-23H,4-12,15-20H2,1-3H3

InChI Key

KULNDEAINPDFQL-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

Molecular Weight¹

408.61

• 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).
• P_c : Critical Pressure (kPa).
• 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°	59.85	kJ/mol	Joback Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	6.622		Crippen Calculated Property
McVol	362.830	ml/mol	McGowan Calculated Property
Pc	869.14	kPa	Joback Calculated Property
Inp	[2692.00; 2692.00]
Inp	2692.00		NIST
Inp	2692.00		NIST
Tboil	652.83	K	Relay (1.0) Calculated Property
Tfus	261.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[525.86; 1286.29]	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			-2.25870e+01
Coefficient B			2.31476e+00
Coefficient C			-1.16308e-03
Coefficient D			1.57200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	525.86	J/mol×K	273.00	Calculated Property
Cp,gas	657.71	J/mol×K	353.78	Calculated Property
Cp,gas	776.57	J/mol×K	434.56	Calculated Property
Cp,gas	882.92	J/mol×K	515.33	Calculated Property
Cp,gas	977.27	J/mol×K	596.11	Calculated Property
Cp,gas	1060.10	J/mol×K	676.89	Calculated Property
Cp,gas	1131.93	J/mol×K	757.67	Calculated Property
Cp,gas	1193.23	J/mol×K	838.44	Calculated Property
Cp,gas	1244.52	J/mol×K	919.22	Calculated Property
Cp,gas	1286.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010639; 0.0000474]	Pa×s	[445.07; 773.12]	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			-1.41762e+01
Coefficient B			3.26252e+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.			445.07
Temperature range, max.			773.12
η	0.0010639	Pa×s	445.07	Calculated Property
η	0.0006108	Pa×s	481.52	Calculated Property
η	0.0003792	Pa×s	517.97	Calculated Property
η	0.0002506	Pa×s	554.42	Calculated Property
η	0.0001743	Pa×s	590.87	Calculated Property
η	0.0001265	Pa×s	627.32	Calculated Property
η	0.0000951	Pa×s	663.77	Calculated Property
η	0.0000736	Pa×s	700.22	Calculated Property
η	0.0000584	Pa×s	736.67	Calculated Property
η	0.0000474	Pa×s	773.12	Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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