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

InChI

InChI=1S/C27H50O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-6-4-2/h24-25H,3-23H2,1-2H3

InChI Key

KGBLWMYBBFJATI-UHFFFAOYSA-N

Formula

C27H50O4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCC

Molecular Weight¹

438.68

• 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).
• 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	1.1339		Relay (1.0) Calculated Property
ΔfH°gas	-1148.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.17	kJ/mol	Joback Calculated Property
ΔvapH°	123.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-7.50		Relay (1.0) Calculated Property
logPoct/wat	7.771		Crippen Calculated Property
McVol	395.310	ml/mol	McGowan Calculated Property
Pc	795.28	kPa	Joback Calculated Property
Inp	[3062.00; 3062.00]
Inp	3062.00		NIST
Inp	3062.00		NIST
Tboil	665.20	K	Relay (1.0) Calculated Property
Tc	878.97	K	Relay (1.0) Calculated Property
Tfus	314.66	K	Relay (1.0) Calculated Property
Vc	1.480	m3/kmol	Relay (1.0) Calculated Property

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1410.41; 1504.00]	J/mol×K	[984.62; 1207.94]
Cp,gas	1410.41	J/mol×K	984.62	Joback Calculated Property
Cp,gas	1430.75	J/mol×K	1021.84	Joback Calculated Property
Cp,gas	1449.13	J/mol×K	1059.06	Joback Calculated Property
Cp,gas	1465.59	J/mol×K	1096.28	Joback Calculated Property
Cp,gas	1480.19	J/mol×K	1133.50	Joback Calculated Property
Cp,gas	1492.98	J/mol×K	1170.72	Joback Calculated Property
Cp,gas	1504.00	J/mol×K	1207.94	Joback Calculated Property
η	[0.0000254; 0.0004525]	Pa×s	[541.51; 984.62]
η	0.0004525	Pa×s	541.51	Joback Calculated Property
η	0.0002099	Pa×s	615.36	Joback Calculated Property
η	0.0001148	Pa×s	689.21	Joback Calculated Property
η	0.0000706	Pa×s	763.07	Joback Calculated Property
η	0.0000473	Pa×s	836.92	Joback Calculated Property
η	0.0000338	Pa×s	910.77	Joback Calculated Property
η	0.0000254	Pa×s	984.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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