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

InChI

InChI=1S/C25H44O5/c1-2-3-4-5-6-7-8-9-10-13-18-29-24(26)22-16-11-12-17-23(22)25(27)30-20-21-15-14-19-28-21/h21-23H,2-20H2,1H3

InChI Key

SSQGHXDPRBSVHN-UHFFFAOYSA-N

Formula

C25H44O5

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCO1

Molecular Weight¹

424.61

• 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°	64.06	kJ/mol	Joback Calculated Property
logPoct/wat	5.979		Crippen Calculated Property
McVol	362.140	ml/mol	McGowan Calculated Property
Inp	[3050.00; 3050.00]
Inp	3050.00		NIST
Inp	3050.00		NIST
Tboil	684.69	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	[516.78; 1319.87]	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			-7.18480e+01
Coefficient B			2.49352e+00
Coefficient C			-1.28610e-03
Coefficient D			1.84300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	516.78	J/mol×K	273.00	Calculated Property
Cp,gas	657.50	J/mol×K	353.78	Calculated Property
Cp,gas	783.98	J/mol×K	434.56	Calculated Property
Cp,gas	896.82	J/mol×K	515.33	Calculated Property
Cp,gas	996.59	J/mol×K	596.11	Calculated Property
Cp,gas	1083.88	J/mol×K	676.89	Calculated Property
Cp,gas	1159.27	J/mol×K	757.67	Calculated Property
Cp,gas	1223.35	J/mol×K	838.44	Calculated Property
Cp,gas	1276.68	J/mol×K	919.22	Calculated Property
Cp,gas	1319.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008987; 0.0000606]	Pa×s	[496.78; 810.82]	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			-1.39758e+01
Coefficient B			3.45823e+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.			496.78
Temperature range, max.			810.82
η	0.0008987	Pa×s	496.78	Calculated Property
η	0.0005691	Pa×s	531.67	Calculated Property
η	0.0003813	Pa×s	566.57	Calculated Property
η	0.0002676	Pa×s	601.46	Calculated Property
η	0.0001952	Pa×s	636.36	Calculated Property
η	0.0001472	Pa×s	671.25	Calculated Property
η	0.0001141	Pa×s	706.14	Calculated Property
η	0.0000906	Pa×s	741.04	Calculated Property
η	0.0000734	Pa×s	775.93	Calculated Property
η	0.0000606	Pa×s	810.82	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 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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