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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-263.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-962.45	kJ/mol	Joback Calculated Property
ΔfusH°	56.68	kJ/mol	Joback Calculated Property
ΔvapH°	89.58	kJ/mol	Joback Calculated Property
log10WS	-7.04		Crippen Calculated Property
logPoct/wat	6.622		Crippen Calculated Property
McVol	362.830	ml/mol	McGowan Calculated Property
Pc	912.73	kPa	Joback Calculated Property
Inp	[2692.00; 2692.00]
Inp	2692.00		NIST
Inp	2692.00		NIST
Tboil	937.58	K	Joback Calculated Property
Tc	1147.94	K	Joback Calculated Property
Tfus	504.73	K	Joback Calculated Property
Vc	1.395	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1252.08; 1343.20]	J/mol×K	[937.58; 1147.94]
Cp,gas	1252.08	J/mol×K	937.58	Joback Calculated Property
Cp,gas	1271.28	J/mol×K	972.64	Joback Calculated Property
Cp,gas	1288.83	J/mol×K	1007.70	Joback Calculated Property
Cp,gas	1304.75	J/mol×K	1042.76	Joback Calculated Property
Cp,gas	1319.10	J/mol×K	1077.82	Joback Calculated Property
Cp,gas	1331.90	J/mol×K	1112.88	Joback Calculated Property
Cp,gas	1343.20	J/mol×K	1147.94	Joback Calculated Property
η	[0.0000342; 0.0006508]	Pa×s	[504.73; 937.58]
η	0.0006508	Pa×s	504.73	Joback Calculated Property
η	0.0002931	Pa×s	576.87	Joback Calculated Property
η	0.0001576	Pa×s	649.01	Joback Calculated Property
η	0.0000960	Pa×s	721.15	Joback Calculated Property
η	0.0000639	Pa×s	793.30	Joback Calculated Property
η	0.0000456	Pa×s	865.44	Joback Calculated Property
η	0.0000342	Pa×s	937.58	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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