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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7256		Relay (... Calculated Property
ΔfG°	-267.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1036.58	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.89	kJ/mol	Joback Calculated Property
ΔvapH°	106.73	kJ/mol	Relay (... Calculated Property
IE	9.38	eV	Relay (... Calculated Property
log10WS	-5.41		Relay (... 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	689.04	K	Relay (... Calculated Property
Tc	921.35	K	Relay (... Calculated Property
Tfus	344.66	K	Relay (... Calculated Property
Vc	1.106	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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