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

InChI

InChI=1S/C22H38O4/c1-4-5-6-9-12-25-21(23)19-10-7-8-11-20(19)22(24)26-18-14-16(2)13-17(3)15-18/h16-20H,4-15H2,1-3H3

InChI Key

WEYNQVXJYNZXOX-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

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

Molecular Weight¹

366.53

• 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°	-307.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-939.39	kJ/mol	Joback Calculated Property
ΔfusH°	45.19	kJ/mol	Joback Calculated Property
ΔvapH°	82.81	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	5.284		Crippen Calculated Property
McVol	314.000	ml/mol	McGowan Calculated Property
Pc	1167.22	kPa	Joback Calculated Property
Inp	[2467.00; 2467.00]
Inp	2467.00		NIST
Inp	2467.00		NIST
Tboil	880.43	K	Joback Calculated Property
Tc	1092.67	K	Joback Calculated Property
Tfus	484.06	K	Joback Calculated Property
Vc	1.179	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1097.46; 1193.05]	J/mol×K	[880.43; 1092.67]
Cp,gas	1097.46	J/mol×K	880.43	Joback Calculated Property
Cp,gas	1118.04	J/mol×K	915.80	Joback Calculated Property
Cp,gas	1136.74	J/mol×K	951.18	Joback Calculated Property
Cp,gas	1153.58	J/mol×K	986.55	Joback Calculated Property
Cp,gas	1168.57	J/mol×K	1021.92	Joback Calculated Property
Cp,gas	1181.72	J/mol×K	1057.30	Joback Calculated Property
Cp,gas	1193.05	J/mol×K	1092.67	Joback Calculated Property
η	[0.0000940; 0.0010786]	Pa×s	[484.06; 880.43]
η	0.0010786	Pa×s	484.06	Joback Calculated Property
η	0.0005625	Pa×s	550.12	Joback Calculated Property
η	0.0003373	Pa×s	616.18	Joback Calculated Property
η	0.0002233	Pa×s	682.25	Joback Calculated Property
η	0.0001590	Pa×s	748.31	Joback Calculated Property
η	0.0001197	Pa×s	814.37	Joback Calculated Property
η	0.0000940	Pa×s	880.43	Joback Calculated Property

Similar Compounds

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