Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, decyl 3-methylbut-2-yl ester

InChI

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

InChI Key

ZTZBBTWFEIKNJE-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

CCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)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	[2538.00; 2538.00]
Inp	2538.00		NIST
Inp	2538.00		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, decyl 3-methylbut-2-yl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.