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

InChI

InChI=1S/C24H44O5/c1-4-5-6-7-8-9-12-17-28-23(25)21-13-10-11-14-22(21)24(26)29-19-16-20(2)15-18-27-3/h20-22H,4-19H2,1-3H3

InChI Key

DYGUYTBAAFXSKJ-UHFFFAOYSA-N

Formula

C24H44O5

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

412.60

• 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°	-407.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1131.81	kJ/mol	Joback Calculated Property
ΔfusH°	54.06	kJ/mol	Joback Calculated Property
ΔvapH°	89.47	kJ/mol	Joback Calculated Property
log10WS	-5.85		Crippen Calculated Property
logPoct/wat	5.692		Crippen Calculated Property
McVol	358.910	ml/mol	McGowan Calculated Property
Pc	936.92	kPa	Joback Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	937.96	K	Joback Calculated Property
Tc	1148.38	K	Joback Calculated Property
Tfus	514.93	K	Joback Calculated Property
Vc	1.371	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1250.88; 1338.57]	J/mol×K	[937.96; 1148.38]
Cp,gas	1250.88	J/mol×K	937.96	Joback Calculated Property
Cp,gas	1269.91	J/mol×K	973.03	Joback Calculated Property
Cp,gas	1287.15	J/mol×K	1008.10	Joback Calculated Property
Cp,gas	1302.61	J/mol×K	1043.17	Joback Calculated Property
Cp,gas	1316.32	J/mol×K	1078.24	Joback Calculated Property
Cp,gas	1328.30	J/mol×K	1113.31	Joback Calculated Property
Cp,gas	1338.57	J/mol×K	1148.38	Joback Calculated Property
η	[0.0000270; 0.0005041]	Pa×s	[514.93; 937.96]
η	0.0005041	Pa×s	514.93	Joback Calculated Property
η	0.0002306	Pa×s	585.43	Joback Calculated Property
η	0.0001248	Pa×s	655.94	Joback Calculated Property
η	0.0000761	Pa×s	726.44	Joback Calculated Property
η	0.0000507	Pa×s	796.95	Joback Calculated Property
η	0.0000360	Pa×s	867.45	Joback Calculated Property
η	0.0000270	Pa×s	937.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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