Chemical Properties of Guaja-1(10),11-dien-15-al

InChI

InChI=1S/C15H22O/c1-10(2)12-5-6-13(9-16)14-7-4-11(3)15(14)8-12/h9,11-12,15H,1,4-8H2,2-3H3

InChI Key

BEDIGDJDGGJUFI-UHFFFAOYSA-N

Formula

C15H22O

SMILES

C=C(C)C1CCC(C=O)=C2CCC(C)C2C1

Molecular Weight¹

218.33

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3818		Relay (1.0) Calculated Property
ΔfG°	131.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.69	kJ/mol	Joback Calculated Property
ΔvapH°	75.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	3.904		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2058.62	kPa	Joback Calculated Property
Inp	[1806.00; 1806.00]
Inp	1806.00		NIST
Inp	1806.00		NIST
Tboil	589.44	K	Relay (1.0) Calculated Property
Tc	811.64	K	Relay (1.0) Calculated Property
Tfus	309.22	K	Relay (1.0) Calculated Property
Vc	0.650	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.43; 637.60]	J/mol×K	[622.83; 842.33]
Cp,gas	530.43	J/mol×K	622.83	Joback Calculated Property
Cp,gas	551.37	J/mol×K	659.41	Joback Calculated Property
Cp,gas	571.01	J/mol×K	696.00	Joback Calculated Property
Cp,gas	589.39	J/mol×K	732.58	Joback Calculated Property
Cp,gas	606.58	J/mol×K	769.17	Joback Calculated Property
Cp,gas	622.64	J/mol×K	805.75	Joback Calculated Property
Cp,gas	637.60	J/mol×K	842.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Guaja-1(10),11-dien-15-al.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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