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

InChI

InChI=1S/C22H38O3/c1-16(11-15-25-17(2)23)8-9-19-21(5)13-7-12-20(3,4)18(21)10-14-22(19,6)24/h11,18-19,24H,7-10,12-15H2,1-6H3/b16-11+/t18?,19-,21+,22-/m1/s1

InChI Key

GYGSQPMBVQQYCF-KIJIRQTNSA-N

Formula

C22H38O3

SMILES

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

Molecular Weight¹

350.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1074.45; 1253.86]	J/mol×K	[892.54; 1106.46]
Cp,gas	1074.45	J/mol×K	892.54	Joback Calculated Property
Cp,gas	1101.34	J/mol×K	928.19	Joback Calculated Property
Cp,gas	1129.02	J/mol×K	963.85	Joback Calculated Property
Cp,gas	1157.81	J/mol×K	999.50	Joback Calculated Property
Cp,gas	1188.00	J/mol×K	1035.15	Joback Calculated Property
Cp,gas	1219.92	J/mol×K	1070.80	Joback Calculated Property
Cp,gas	1253.86	J/mol×K	1106.46	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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