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

InChI

InChI=1S/C28H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-8-6-4-2/h25-26H,3-24H2,1-2H3

InChI Key

XJAOFGPMMGBRBI-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCC

Molecular Weight¹

452.71

• 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	1.1687		Relay (1.0) Calculated Property
ΔfG°	-266.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1168.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.76	kJ/mol	Joback Calculated Property
ΔvapH°	127.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-7.81		Relay (1.0) Calculated Property
logPoct/wat	8.161		Crippen Calculated Property
McVol	409.400	ml/mol	McGowan Calculated Property
Pc	753.91	kPa	Joback Calculated Property
Inp	[3141.00; 3141.00]
Inp	3141.00		NIST
Inp	3141.00		NIST
Tboil	672.18	K	Relay (1.0) Calculated Property
Tc	885.69	K	Relay (1.0) Calculated Property
Tfus	315.96	K	Relay (1.0) Calculated Property
Vc	1.535	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1474.90; 1567.79]	J/mol×K	[1007.50; 1238.90]
Cp,gas	1474.90	J/mol×K	1007.50	Joback Calculated Property
Cp,gas	1495.49	J/mol×K	1046.07	Joback Calculated Property
Cp,gas	1513.96	J/mol×K	1084.63	Joback Calculated Property
Cp,gas	1530.36	J/mol×K	1123.20	Joback Calculated Property
Cp,gas	1544.76	J/mol×K	1161.77	Joback Calculated Property
Cp,gas	1557.22	J/mol×K	1200.34	Joback Calculated Property
Cp,gas	1567.79	J/mol×K	1238.90	Joback Calculated Property
η	[0.0000218; 0.0003982]	Pa×s	[552.78; 1007.50]
η	0.0003982	Pa×s	552.78	Joback Calculated Property
η	0.0001832	Pa×s	628.57	Joback Calculated Property
η	0.0000996	Pa×s	704.35	Joback Calculated Property
η	0.0000610	Pa×s	780.14	Joback Calculated Property
η	0.0000407	Pa×s	855.93	Joback Calculated Property
η	0.0000290	Pa×s	931.71	Joback Calculated Property
η	0.0000218	Pa×s	1007.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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