Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, difurfuryl ester

InChI

InChI=1S/C18H28O6/c19-17(23-11-13-5-3-9-21-13)15-7-1-2-8-16(15)18(20)24-12-14-6-4-10-22-14/h13-16H,1-12H2

InChI Key

YKLOZNRRBGPWAL-UHFFFAOYSA-N

Formula

C18H28O6

SMILES

O=C(OCC1CCCO1)C1CCCCC1C(=O)OCC1CCCO1

Molecular Weight¹

340.41

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1154.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.85	kJ/mol	Joback Calculated Property
ΔvapH°	106.66	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.237		Crippen Calculated Property
McVol	258.520	ml/mol	McGowan Calculated Property
Inp	[2576.00; 2576.00]
Inp	2576.00		NIST
Inp	2576.00		NIST
Tboil	661.57	K	Relay (1.0) Calculated Property
Tfus	326.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[887.84; 976.92]	J/mol×K	[827.22; 1054.63]
Cp,gas	887.84	J/mol×K	827.22	Joback Calculated Property
Cp,gas	907.40	J/mol×K	865.12	Joback Calculated Property
Cp,gas	925.02	J/mol×K	903.02	Joback Calculated Property
Cp,gas	940.74	J/mol×K	940.92	Joback Calculated Property
Cp,gas	954.60	J/mol×K	978.83	Joback Calculated Property
Cp,gas	966.65	J/mol×K	1016.73	Joback Calculated Property
Cp,gas	976.92	J/mol×K	1054.63	Joback Calculated Property
η	[0.0001193; 0.0021673]	Pa×s	[455.36; 827.22]
η	0.0021673	Pa×s	455.36	Joback Calculated Property
η	0.0010008	Pa×s	517.34	Joback Calculated Property
η	0.0005453	Pa×s	579.31	Joback Calculated Property
η	0.0003341	Pa×s	641.29	Joback Calculated Property
η	0.0002231	Pa×s	703.27	Joback Calculated Property
η	0.0001591	Pa×s	765.24	Joback Calculated Property
η	0.0001193	Pa×s	827.22	Joback Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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