Chemical Properties of 5-hydroxy-isobornyl butyrate

InChI

InChI=1S/C14H24O3/c1-5-6-12(16)17-11-7-9-10(15)8-14(11,4)13(9,2)3/h9-11,15H,5-8H2,1-4H3/t9?,10?,11-,14?/m0/s1

InChI Key

ZGBYUSKULPTYKK-DGVZPSOQSA-N

Formula

C14H24O3

SMILES

CCCC(=O)OC1CC2C(O)CC1(C)C2(C)C

Molecular Weight¹

240.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[278.48; 764.27]	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			-1.66908e+02
Coefficient B			2.10958e+00
Coefficient C			-1.96660e-03
Coefficient D			7.88200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.48	J/mol×K	273.00	Calculated Property
Cp,gas	368.18	J/mol×K	353.78	Calculated Property
Cp,gas	443.13	J/mol×K	434.56	Calculated Property
Cp,gas	505.83	J/mol×K	515.33	Calculated Property
Cp,gas	558.77	J/mol×K	596.11	Calculated Property
Cp,gas	604.44	J/mol×K	676.89	Calculated Property
Cp,gas	645.33	J/mol×K	757.67	Calculated Property
Cp,gas	683.94	J/mol×K	838.44	Calculated Property
Cp,gas	722.75	J/mol×K	919.22	Calculated Property
Cp,gas	764.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5-hydroxy-isobornyl butyrate.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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