Chemical Properties of (-)-Elema-1,3,11(13)-trien-12-al

InChI

InChI=1S/C15H22O/c1-6-15(5)8-7-13(12(4)10-16)9-14(15)11(2)3/h6,10,13-14H,1-2,4,7-9H2,3,5H3/t13-,14+,15-/m0/s1

InChI Key

DJZHNAGRSWMVPA-ZNMIVQPWSA-N

Formula

C15H22O

SMILES

C=CC1(C)CCC(C(=C)C=O)CC1C(=C)C

Molecular Weight¹

218.33

• 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°	225.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-52.92	kJ/mol	Joback Calculated Property
ΔfusH°	18.11	kJ/mol	Joback Calculated Property
ΔvapH°	52.51	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.926		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Pc	1950.95	kPa	Joback Calculated Property
Inp	[1639.00; 1639.00]
Inp	1639.00		NIST
Inp	1639.00		NIST
Tboil	591.51	K	Joback Calculated Property
Tc	805.77	K	Joback Calculated Property
Tfus	290.41	K	Joback Calculated Property
Vc	0.766	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.03; 624.92]	J/mol×K	[591.51; 805.77]
Cp,gas	518.03	J/mol×K	591.51	Joback Calculated Property
Cp,gas	538.42	J/mol×K	627.22	Joback Calculated Property
Cp,gas	557.62	J/mol×K	662.93	Joback Calculated Property
Cp,gas	575.74	J/mol×K	698.64	Joback Calculated Property
Cp,gas	592.90	J/mol×K	734.35	Joback Calculated Property
Cp,gas	609.25	J/mol×K	770.06	Joback Calculated Property
Cp,gas	624.92	J/mol×K	805.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-Elema-1,3,11(13)-trien-12-al.

Sources

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

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