Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester

InChI

InChI=1S/C23H42O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h18-21H,5-17H2,1-4H3

InChI Key

LQMSDKIOQPKZRS-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(CC)C(C)C

Molecular Weight¹

382.58

• 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°	-313.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-984.23	kJ/mol	Joback Calculated Property
ΔfusH°	46.76	kJ/mol	Joback Calculated Property
ΔvapH°	84.45	kJ/mol	Joback Calculated Property
log10WS	-6.46		Crippen Calculated Property
logPoct/wat	6.064		Crippen Calculated Property
McVol	338.950	ml/mol	McGowan Calculated Property
Pc	1010.37	kPa	Joback Calculated Property
Inp	[2574.00; 2574.00]
Inp	2574.00		NIST
Inp	2574.00		NIST
Tboil	892.22	K	Joback Calculated Property
Tc	1095.57	K	Joback Calculated Property
Tfus	466.43	K	Joback Calculated Property
Vc	1.292	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1156.49; 1251.81]	J/mol×K	[892.22; 1095.57]
Cp,gas	1156.49	J/mol×K	892.22	Joback Calculated Property
Cp,gas	1176.20	J/mol×K	926.11	Joback Calculated Property
Cp,gas	1194.34	J/mol×K	960.00	Joback Calculated Property
Cp,gas	1210.94	J/mol×K	993.90	Joback Calculated Property
Cp,gas	1226.04	J/mol×K	1027.79	Joback Calculated Property
Cp,gas	1239.65	J/mol×K	1061.68	Joback Calculated Property
Cp,gas	1251.81	J/mol×K	1095.57	Joback Calculated Property
η	[0.0000386; 0.0009832]	Pa×s	[466.43; 892.22]
η	0.0009832	Pa×s	466.43	Joback Calculated Property
η	0.0004013	Pa×s	537.39	Joback Calculated Property
η	0.0002019	Pa×s	608.36	Joback Calculated Property
η	0.0001173	Pa×s	679.33	Joback Calculated Property
η	0.0000755	Pa×s	750.29	Joback Calculated Property
η	0.0000524	Pa×s	821.26	Joback Calculated Property
η	0.0000386	Pa×s	892.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl nonyl ester.

Sources

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

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