Chemical Properties of labda-13-(E)-en-8«alpha»-15yl acetate

InChI

InChI=1S/C24H40O4/c1-17(12-16-27-18(2)25)9-10-21-23(6)14-8-13-22(4,5)20(23)11-15-24(21,7)28-19(3)26/h12,20-21H,8-11,13-16H2,1-7H3/b17-12+/t20?,21?,23-,24+/m1/s1

InChI Key

LDRJQXFQGSRDEB-IUBNAXQHSA-N

Formula

C24H40O4

SMILES

CC(=O)OCC=C(C)CCC1C(C)(OC(C)=O)CCC2C(C)(C)CCCC21C

Molecular Weight¹

392.57

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1162.59; 1342.78]	J/mol×K	[886.47; 1104.53]
Cp,gas	1162.59	J/mol×K	886.47	Joback Calculated Property
Cp,gas	1190.42	J/mol×K	922.81	Joback Calculated Property
Cp,gas	1218.70	J/mol×K	959.16	Joback Calculated Property
Cp,gas	1247.77	J/mol×K	995.50	Joback Calculated Property
Cp,gas	1277.92	J/mol×K	1031.85	Joback Calculated Property
Cp,gas	1309.49	J/mol×K	1068.19	Joback Calculated Property
Cp,gas	1342.78	J/mol×K	1104.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to labda-13-(E)-en-8«alpha»-15yl acetate.

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

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