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

InChI

InChI=1S/C27H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-31-26(28)24-18-13-14-19-25(24)27(29)32-22-23-17-16-21-30-23/h23-25H,2-22H2,1H3

InChI Key

JGQRHRPBYPAEOA-UHFFFAOYSA-N

Formula

C27H48O5

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCO1

Molecular Weight¹

452.67

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	69.24	kJ/mol	Joback Calculated Property
logPoct/wat	6.759		Crippen Calculated Property
McVol	390.320	ml/mol	McGowan Calculated Property
Inp	[3256.00; 3256.00]
Inp	3256.00		NIST
Inp	3256.00		NIST
Tboil	697.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.21; 1423.05]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.36660e+01
Coefficient B			2.68352e+00
Coefficient C			-1.39490e-03
Coefficient D			2.08100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	559.21	J/mol×K	273.00	Calculated Property
Cp,gas	710.33	J/mol×K	353.78	Calculated Property
Cp,gas	846.14	J/mol×K	434.56	Calculated Property
Cp,gas	967.28	J/mol×K	515.33	Calculated Property
Cp,gas	1074.42	J/mol×K	596.11	Calculated Property
Cp,gas	1168.20	J/mol×K	676.89	Calculated Property
Cp,gas	1249.31	J/mol×K	757.67	Calculated Property
Cp,gas	1318.37	J/mol×K	838.44	Calculated Property
Cp,gas	1376.07	J/mol×K	919.22	Calculated Property
Cp,gas	1423.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006837; 0.0000447]	Pa×s	[519.32; 849.29]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.43098e+01
Coefficient B			3.64655e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			519.32
Temperature range, max.			849.29
η	0.0006837	Pa×s	519.32	Calculated Property
η	0.0004303	Pa×s	555.98	Calculated Property
η	0.0002868	Pa×s	592.65	Calculated Property
η	0.0002004	Pa×s	629.31	Calculated Property
η	0.0001457	Pa×s	665.97	Calculated Property
η	0.0001095	Pa×s	702.63	Calculated Property
η	0.0000846	Pa×s	739.30	Calculated Property
η	0.0000670	Pa×s	775.96	Calculated Property
η	0.0000542	Pa×s	812.62	Calculated Property
η	0.0000447	Pa×s	849.29	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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