Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl nonyl ester

InChI

InChI=1S/C25H44O4/c1-4-5-6-7-8-9-12-15-28-24(26)22-13-10-11-14-23(22)25(27)29-21-17-19(2)16-20(3)18-21/h19-23H,4-18H2,1-3H3

InChI Key

QUDRMGFSMXKFSN-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)OC1CC(C)CC(C)C1

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°	-282.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1001.31	kJ/mol	Joback Calculated Property
ΔfusH°	52.96	kJ/mol	Joback Calculated Property
ΔvapH°	89.49	kJ/mol	Joback Calculated Property
log10WS	-6.95		Crippen Calculated Property
logPoct/wat	6.454		Crippen Calculated Property
McVol	356.270	ml/mol	McGowan Calculated Property
Pc	967.47	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	949.07	K	Joback Calculated Property
Tc	1165.27	K	Joback Calculated Property
Tfus	517.87	K	Joback Calculated Property
Vc	1.347	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1286.96; 1374.94]	J/mol×K	[949.07; 1165.27]
Cp,gas	1286.96	J/mol×K	949.07	Joback Calculated Property
Cp,gas	1306.71	J/mol×K	985.10	Joback Calculated Property
Cp,gas	1324.39	J/mol×K	1021.14	Joback Calculated Property
Cp,gas	1340.03	J/mol×K	1057.17	Joback Calculated Property
Cp,gas	1353.65	J/mol×K	1093.20	Joback Calculated Property
Cp,gas	1365.28	J/mol×K	1129.24	Joback Calculated Property
Cp,gas	1374.94	J/mol×K	1165.27	Joback Calculated Property
η	[0.0000626; 0.0008016]	Pa×s	[517.87; 949.07]
η	0.0008016	Pa×s	517.87	Joback Calculated Property
η	0.0004045	Pa×s	589.74	Joback Calculated Property
η	0.0002368	Pa×s	661.60	Joback Calculated Property
η	0.0001540	Pa×s	733.47	Joback Calculated Property
η	0.0001081	Pa×s	805.34	Joback Calculated Property
η	0.0000805	Pa×s	877.20	Joback Calculated Property
η	0.0000626	Pa×s	949.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl nonyl ester.

Sources

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

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