Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dicyclohexylmethyl ester

InChI

InChI=1S/C22H36O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h17-20H,1-16H2

InChI Key

ITEOMAHCDRDDLQ-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

O=C(OCC1CCCCC1)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

364.52

• 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°	-267.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-844.39	kJ/mol	Joback Calculated Property
ΔfusH°	34.89	kJ/mol	Joback Calculated Property
ΔvapH°	83.86	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	5.040		Crippen Calculated Property
McVol	303.140	ml/mol	McGowan Calculated Property
Pc	1417.57	kPa	Joback Calculated Property
Inp	[2713.00; 2713.00]
Inp	2713.00		NIST
Inp	2713.00		NIST
Tboil	909.32	K	Joback Calculated Property
Tc	1143.22	K	Joback Calculated Property
Tfus	499.92	K	Joback Calculated Property
Vc	1.113	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1087.12; 1176.69]	J/mol×K	[909.32; 1143.22]
Cp,gas	1087.12	J/mol×K	909.32	Joback Calculated Property
Cp,gas	1107.60	J/mol×K	948.30	Joback Calculated Property
Cp,gas	1125.80	J/mol×K	987.29	Joback Calculated Property
Cp,gas	1141.77	J/mol×K	1026.27	Joback Calculated Property
Cp,gas	1155.54	J/mol×K	1065.25	Joback Calculated Property
Cp,gas	1167.17	J/mol×K	1104.24	Joback Calculated Property
Cp,gas	1176.69	J/mol×K	1143.22	Joback Calculated Property
η	[0.0000569; 0.0010562]	Pa×s	[499.92; 909.32]
η	0.0010562	Pa×s	499.92	Joback Calculated Property
η	0.0004845	Pa×s	568.15	Joback Calculated Property
η	0.0002627	Pa×s	636.39	Joback Calculated Property
η	0.0001604	Pa×s	704.62	Joback Calculated Property
η	0.0001068	Pa×s	772.85	Joback Calculated Property
η	0.0000760	Pa×s	841.09	Joback Calculated Property
η	0.0000569	Pa×s	909.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dicyclohexylmethyl 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.