Chemical Properties of 8-Isobutyryloxy isobornyl isobutyrate

InChI

InChI=1S/C18H30O4/c1-11(2)15(19)21-10-18(6)13-7-8-17(18,5)14(9-13)22-16(20)12(3)4/h11-14H,7-10H2,1-6H3/t13-,14+,17+,18?/m1/s1

InChI Key

TYRVJKXVESQUNB-FSNFEAPFSA-N

Formula

C18H30O4

SMILES

CC(C)C(=O)OCC1(C)C2CCC1(C)C(OC(=O)C(C)C)C2

Molecular Weight¹

310.43

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.78	kJ/mol	Joback Calculated Property
logPoct/wat	3.580		Crippen Calculated Property
McVol	257.640	ml/mol	McGowan Calculated Property
Inp	[1866.00; 1869.00]
Inp	1869.00		NIST
Inp	1866.00		NIST
Tboil	561.03	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	[364.27; 954.49]	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			-1.59729e+02
Coefficient B			2.43912e+00
Coefficient C			-2.12100e-03
Coefficient D			7.96100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.27	J/mol×K	273.00	Calculated Property
Cp,gas	472.97	J/mol×K	353.78	Calculated Property
Cp,gas	565.01	J/mol×K	434.56	Calculated Property
Cp,gas	642.91	J/mol×K	515.33	Calculated Property
Cp,gas	709.20	J/mol×K	596.11	Calculated Property
Cp,gas	766.39	J/mol×K	676.89	Calculated Property
Cp,gas	816.99	J/mol×K	757.67	Calculated Property
Cp,gas	863.53	J/mol×K	838.44	Calculated Property
Cp,gas	908.53	J/mol×K	919.22	Calculated Property
Cp,gas	954.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 8-Isobutyryloxy isobornyl isobutyrate.

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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