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

InChI

InChI=1S/C15H26O4/c1-4-5-10-18-14(16)12-8-6-7-9-13(12)15(17)19-11(2)3/h11-13H,4-10H2,1-3H3

InChI Key

FWQZJWWALZJRLI-UHFFFAOYSA-N

Formula

C15H26O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OC(C)C

Molecular Weight¹

270.37

• 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	-930.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.73	kJ/mol	Joback Calculated Property
ΔvapH°	80.62	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.088		Crippen Calculated Property
McVol	226.230	ml/mol	McGowan Calculated Property
Inp	[1952.00; 1952.00]
Inp	1952.00		NIST
Inp	1952.00		NIST
Tboil	550.62	K	Relay (1.0) Calculated Property
Tfus	266.28	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	[659.52; 759.04]	J/mol×K	[673.68; 870.20]
Cp,gas	659.52	J/mol×K	673.68	Joback Calculated Property
Cp,gas	679.08	J/mol×K	706.43	Joback Calculated Property
Cp,gas	697.45	J/mol×K	739.19	Joback Calculated Property
Cp,gas	714.62	J/mol×K	771.94	Joback Calculated Property
Cp,gas	730.61	J/mol×K	804.70	Joback Calculated Property
Cp,gas	745.41	J/mol×K	837.45	Joback Calculated Property
Cp,gas	759.04	J/mol×K	870.20	Joback Calculated Property
η	[0.0001006; 0.0040725]	Pa×s	[331.61; 673.68]
η	0.0040725	Pa×s	331.61	Joback Calculated Property
η	0.0013981	Pa×s	388.62	Joback Calculated Property
η	0.0006310	Pa×s	445.63	Joback Calculated Property
η	0.0003411	Pa×s	502.64	Joback Calculated Property
η	0.0002090	Pa×s	559.66	Joback Calculated Property
η	0.0001402	Pa×s	616.67	Joback Calculated Property
η	0.0001006	Pa×s	673.68	Joback Calculated Property

Similar Compounds

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