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

464.72

• 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	1.0982		Relay (1.0) Calculated Property
ΔfG°	-233.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1181.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.18	kJ/mol	Joback Calculated Property
ΔvapH°	131.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	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	801.15	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	933.00	K	Relay (1.0) Calculated Property
Tfus	317.44	K	Relay (1.0) Calculated Property
Vc	1.529	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1534.47; 1612.87]	J/mol×K	[1049.93; 1287.06]
Cp,gas	1534.47	J/mol×K	1049.93	Joback Calculated Property
Cp,gas	1553.20	J/mol×K	1089.45	Joback Calculated Property
Cp,gas	1569.57	J/mol×K	1128.97	Joback Calculated Property
Cp,gas	1583.64	J/mol×K	1168.50	Joback Calculated Property
Cp,gas	1595.50	J/mol×K	1208.02	Joback Calculated Property
Cp,gas	1605.22	J/mol×K	1247.54	Joback Calculated Property
Cp,gas	1612.87	J/mol×K	1287.06	Joback Calculated Property
η	[0.0000191; 0.0003881]	Pa×s	[571.43; 1049.93]
η	0.0003881	Pa×s	571.43	Joback Calculated Property
η	0.0001727	Pa×s	651.18	Joback Calculated Property
η	0.0000917	Pa×s	730.93	Joback Calculated Property
η	0.0000551	Pa×s	810.68	Joback Calculated Property
η	0.0000363	Pa×s	890.43	Joback Calculated Property
η	0.0000256	Pa×s	970.18	Joback Calculated Property
η	0.0000191	Pa×s	1049.93	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.