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

InChI

InChI=1S/C28H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-32-27(29)25-19-14-15-20-26(25)28(30)33-23-24-18-17-22-31-24/h24-26H,2-23H2,1H3

InChI Key

VNMFCFCXDJAVQN-UHFFFAOYSA-N

Formula

C28H50O5

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCO1

Molecular Weight¹

466.69

• 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°	71.83	kJ/mol	Joback Calculated Property
logPoct/wat	7.149		Crippen Calculated Property
McVol	404.410	ml/mol	McGowan Calculated Property
Inp	[3362.00; 3362.00]
Inp	3362.00		NIST
Inp	3362.00		NIST
Tboil	704.14	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	[580.42; 1474.64]	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			-7.45750e+01
Coefficient B			2.77852e+00
Coefficient C			-1.44930e-03
Coefficient D			2.20000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	580.42	J/mol×K	273.00	Calculated Property
Cp,gas	736.75	J/mol×K	353.78	Calculated Property
Cp,gas	877.22	J/mol×K	434.56	Calculated Property
Cp,gas	1002.51	J/mol×K	515.33	Calculated Property
Cp,gas	1113.33	J/mol×K	596.11	Calculated Property
Cp,gas	1210.37	J/mol×K	676.89	Calculated Property
Cp,gas	1294.32	J/mol×K	757.67	Calculated Property
Cp,gas	1365.89	J/mol×K	838.44	Calculated Property
Cp,gas	1425.77	J/mol×K	919.22	Calculated Property
Cp,gas	1474.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005942; 0.0000380]	Pa×s	[530.59; 869.63]	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			-1.44783e+01
Coefficient B			3.74071e+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.			530.59
Temperature range, max.			869.63
η	0.0005942	Pa×s	530.59	Calculated Property
η	0.0003724	Pa×s	568.26	Calculated Property
η	0.0002473	Pa×s	605.93	Calculated Property
η	0.0001723	Pa×s	643.60	Calculated Property
η	0.0001250	Pa×s	681.28	Calculated Property
η	0.0000937	Pa×s	718.95	Calculated Property
η	0.0000723	Pa×s	756.62	Calculated Property
η	0.0000572	Pa×s	794.29	Calculated Property
η	0.0000462	Pa×s	831.96	Calculated Property
η	0.0000380	Pa×s	869.63	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, furfuryl pentadecyl 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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