Chemical Properties of Isobornyl laureate

InChI

InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-14-20(23)24-19-17-18-15-16-22(19,4)21(18,2)3/h18-19H,5-17H2,1-4H3

InChI Key

SABGETNXHUZLDJ-UHFFFAOYSA-N

Formula

C22H40O2

SMILES

CCCCCCCCCCCC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

336.56

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfusH°	40.82	kJ/mol	Joback Calculated Property
ΔvapH°	101.68	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	6.665		Crippen Calculated Property
McVol	306.560	ml/mol	McGowan Calculated Property
Inp	[2297.90; 2297.90]
Inp	2297.90		NIST
Inp	2297.90		NIST
Tboil	604.37	K	Relay (1.0) Calculated Property
Tfus	330.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[433.42; 1151.67]	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			-1.85410e+02
Coefficient B			2.86208e+00
Coefficient C			-2.42680e-03
Coefficient D			9.01800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.42	J/mol×K	273.00	Calculated Property
Cp,gas	563.33	J/mol×K	353.78	Calculated Property
Cp,gas	674.05	J/mol×K	434.56	Calculated Property
Cp,gas	768.45	J/mol×K	515.33	Calculated Property
Cp,gas	849.37	J/mol×K	596.11	Calculated Property
Cp,gas	919.67	J/mol×K	676.89	Calculated Property
Cp,gas	982.20	J/mol×K	757.67	Calculated Property
Cp,gas	1039.81	J/mol×K	838.44	Calculated Property
Cp,gas	1095.35	J/mol×K	919.22	Calculated Property
Cp,gas	1151.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isobornyl laureate.

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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