Chemical Properties of (E)-Labda-8(17),12-diene-15,16-dial (CAS 104263-85-6)

InChI

InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+

InChI Key

TZCSIFOYBLPUIF-FRKPEAEDSA-N

Formula

C20H30O2

SMILES

C=C1CCC2C(C)(C)CCCC2(C)C1CC=C(C=O)CC=O

Molecular Weight¹

302.45

CAS

104263-85-6

• 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

Property	Value	Unit	Source
ΔfG°	89.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.86	kJ/mol	Joback Calculated Property
ΔfusH°	27.28	kJ/mol	Joback Calculated Property
ΔvapH°	71.34	kJ/mol	Joback Calculated Property
log10WS	-5.28		Crippen Calculated Property
logPoct/wat	4.890		Crippen Calculated Property
McVol	265.480	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[2382.80; 2382.80]
Inp	2382.80		NIST
Inp	2382.80		NIST
Tboil	779.22	K	Joback Calculated Property
Tc	999.86	K	Joback Calculated Property
Tfus	454.92	K	Joback Calculated Property
Vc	1.030	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[832.90; 964.43]	J/mol×K	[779.22; 999.86]
Cp,gas	832.90	J/mol×K	779.22	Joback Calculated Property
Cp,gas	854.95	J/mol×K	815.99	Joback Calculated Property
Cp,gas	876.60	J/mol×K	852.77	Joback Calculated Property
Cp,gas	898.11	J/mol×K	889.54	Joback Calculated Property
Cp,gas	919.75	J/mol×K	926.32	Joback Calculated Property
Cp,gas	941.77	J/mol×K	963.09	Joback Calculated Property
Cp,gas	964.43	J/mol×K	999.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-Labda-8(17),12-diene-15,16-dial.

Sources

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

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