Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclobutyl isobutyl ester

InChI

InChI=1S/C16H26O4/c1-11(2)10-19-15(17)13-8-3-4-9-14(13)16(18)20-12-6-5-7-12/h11-14H,3-10H2,1-2H3

InChI Key

IMKSHWZMRNELNK-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)OC1CCC1

Molecular Weight¹

282.38

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.19	kJ/mol	Joback Calculated Property
ΔvapH°	85.10	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.088		Crippen Calculated Property
McVol	229.460	ml/mol	McGowan Calculated Property
Inp	[1917.00; 1917.00]
Inp	1917.00		NIST
Inp	1917.00		NIST
Tboil	597.82	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, 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	[720.49; 819.91]	J/mol×K	[743.51; 958.53]
Cp,gas	720.49	J/mol×K	743.51	Joback Calculated Property
Cp,gas	740.51	J/mol×K	779.35	Joback Calculated Property
Cp,gas	759.11	J/mol×K	815.18	Joback Calculated Property
Cp,gas	776.33	J/mol×K	851.02	Joback Calculated Property
Cp,gas	792.18	J/mol×K	886.86	Joback Calculated Property
Cp,gas	806.70	J/mol×K	922.69	Joback Calculated Property
Cp,gas	819.91	J/mol×K	958.53	Joback Calculated Property
η	[0.0002246; 0.0021980]	Pa×s	[416.96; 743.51]
η	0.0021980	Pa×s	416.96	Joback Calculated Property
η	0.0012067	Pa×s	471.39	Joback Calculated Property
η	0.0007501	Pa×s	525.81	Joback Calculated Property
η	0.0005097	Pa×s	580.24	Joback Calculated Property
η	0.0003701	Pa×s	634.66	Joback Calculated Property
η	0.0002827	Pa×s	689.09	Joback Calculated Property
η	0.0002246	Pa×s	743.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclobutyl isobutyl 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.