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

InChI

InChI=1S/C17H28O5/c1-2-3-10-21-16(18)14-8-4-5-9-15(14)17(19)22-12-13-7-6-11-20-13/h13-15H,2-12H2,1H3

InChI Key

WEXOBQVQMZSOEI-UHFFFAOYSA-N

Formula

C17H28O5

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OCC1CCCO1

Molecular Weight¹

312.40

• 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°	43.34	kJ/mol	Joback Calculated Property
logPoct/wat	2.858		Crippen Calculated Property
McVol	249.420	ml/mol	McGowan Calculated Property
Inp	[2218.00; 2218.00]
Inp	2218.00		NIST
Inp	2218.00		NIST
Tboil	628.01	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	[347.07; 907.14]	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			-6.45760e+01
Coefficient B			1.73352e+00
Coefficient C			-8.50900e-04
Coefficient D			8.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	347.07	J/mol×K	273.00	Calculated Property
Cp,gas	446.15	J/mol×K	353.78	Calculated Property
Cp,gas	535.36	J/mol×K	434.56	Calculated Property
Cp,gas	614.99	J/mol×K	515.33	Calculated Property
Cp,gas	685.30	J/mol×K	596.11	Calculated Property
Cp,gas	746.59	J/mol×K	676.89	Calculated Property
Cp,gas	799.14	J/mol×K	757.67	Calculated Property
Cp,gas	843.23	J/mol×K	838.44	Calculated Property
Cp,gas	879.13	J/mol×K	919.22	Calculated Property
Cp,gas	907.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023853; 0.0001643]	Pa×s	[406.62; 680.17]	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			-1.26907e+01
Coefficient B			2.70495e+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.			406.62
Temperature range, max.			680.17
η	0.0023853	Pa×s	406.62	Calculated Property
η	0.0015018	Pa×s	437.01	Calculated Property
η	0.0010042	Pa×s	467.41	Calculated Property
η	0.0007053	Pa×s	497.80	Calculated Property
η	0.0005159	Pa×s	528.20	Calculated Property
η	0.0003904	Pa×s	558.59	Calculated Property
η	0.0003041	Pa×s	588.98	Calculated Property
η	0.0002427	Pa×s	619.38	Calculated Property
η	0.0001979	Pa×s	649.77	Calculated Property
η	0.0001643	Pa×s	680.17	Calculated Property

Similar Compounds

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