Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl tetradecyl ester

InChI

InChI=1S/C29H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-32-28(30)26-21-16-17-22-27(26)29(31)33-24-25-19-14-13-15-20-25/h25-27H,2-24H2,1H3

InChI Key

PIJBPYRNMVOHEZ-UHFFFAOYSA-N

Formula

C29H52O4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

464.73

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	1.0982		Relay (1.0) Calculated Property
ΔfH°gas	-1181.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.34	kJ/mol	Joback Calculated Property
ΔvapH°	133.25	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.90		Relay (1.0) Calculated Property
logPoct/wat	8.161		Crippen Calculated Property
McVol	412.630	ml/mol	McGowan Calculated Property
Pc	765.21	kPa	Joback Calculated Property
Inp	[3337.00; 3337.00]
Inp	3337.00		NIST
Inp	3337.00		NIST
Tboil	711.41	K	Relay (1.0) Calculated Property
Tc	935.90	K	Relay (1.0) Calculated Property
Tfus	311.81	K	Relay (1.0) Calculated Property
Vc	1.532	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1516.12; 1597.03]	J/mol×K	[1013.99; 1241.96]
Cp,gas	1516.12	J/mol×K	1013.99	Joback Calculated Property
Cp,gas	1535.19	J/mol×K	1051.98	Joback Calculated Property
Cp,gas	1551.94	J/mol×K	1089.98	Joback Calculated Property
Cp,gas	1566.43	J/mol×K	1127.97	Joback Calculated Property
Cp,gas	1578.73	J/mol×K	1165.97	Joback Calculated Property
Cp,gas	1588.90	J/mol×K	1203.96	Joback Calculated Property
Cp,gas	1597.03	J/mol×K	1241.96	Joback Calculated Property
η	[0.0000143; 0.0005759]	Pa×s	[511.77; 1013.99]
η	0.0005759	Pa×s	511.77	Joback Calculated Property
η	0.0002016	Pa×s	595.47	Joback Calculated Property
η	0.0000914	Pa×s	679.18	Joback Calculated Property
η	0.0000493	Pa×s	762.88	Joback Calculated Property
η	0.0000300	Pa×s	846.58	Joback Calculated Property
η	0.0000200	Pa×s	930.29	Joback Calculated Property
η	0.0000143	Pa×s	1013.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
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