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

InChI

InChI=1S/C19H28O2/c1-14-6-9-17-18(2,3)10-5-11-19(17,4)16(14)8-7-15(12-20)13-21/h7,12-13,16-17H,1,5-6,8-11H2,2-4H3/t16-,17?,19+/m0/s1

InChI Key

HFTMAWAUKKDXCR-LVLJQFTKSA-N

Formula

C19H28O2

SMILES

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

Molecular Weight¹

288.42

• 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.
• I : 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°	81.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.22	kJ/mol	Joback Calculated Property
ΔfusH°	24.69	kJ/mol	Joback Calculated Property
ΔvapH°	69.12	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.500		Crippen Calculated Property
McVol	251.390	ml/mol	McGowan Calculated Property
Pc	1687.95	kPa	Joback Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
I	2900.00		NIST
Tboil	756.34	K	Joback Calculated Property
Tc	980.16	K	Joback Calculated Property
Tfus	443.65	K	Joback Calculated Property
Vc	0.975	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.91; 901.04]	J/mol×K	[756.34; 980.16]
Cp,gas	773.91	J/mol×K	756.34	Joback Calculated Property
Cp,gas	795.44	J/mol×K	793.64	Joback Calculated Property
Cp,gas	816.48	J/mol×K	830.95	Joback Calculated Property
Cp,gas	837.30	J/mol×K	868.25	Joback Calculated Property
Cp,gas	858.16	J/mol×K	905.55	Joback Calculated Property
Cp,gas	879.32	J/mol×K	942.86	Joback Calculated Property
Cp,gas	901.04	J/mol×K	980.16	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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