Chemical Properties of Aromadendrene oxide-(1)

InChI

InChI=1S/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3

InChI Key

XPGWKKLDFXNBPJ-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C1C1C(CCC23CO3)C1(C)C

Molecular Weight¹

220.35

• 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	0.3967		Relay (... Calculated Property
ΔfG°	186.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.41	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
ΔvapH°	69.68	kJ/mol	Relay (... Calculated Property
IE	8.68	eV	Relay (... Calculated Property
log10WS	-5.18		Relay (... Calculated Property
logPoct/wat	3.484		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[1672.00; 1672.00]
Inp	1672.00		NIST
Inp	1672.00		NIST
Tboil	542.21	K	Relay (... Calculated Property
Tc	807.63	K	Relay (... Calculated Property
Tfus	333.25	K	Relay (... Calculated Property
Vc	0.704	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.52; 668.97]	J/mol×K	[587.25; 815.53]
Cp,gas	544.52	J/mol×K	587.25	Joback Calculated Property
Cp,gas	568.21	J/mol×K	625.30	Joback Calculated Property
Cp,gas	590.27	J/mol×K	663.34	Joback Calculated Property
Cp,gas	611.03	J/mol×K	701.39	Joback Calculated Property
Cp,gas	630.84	J/mol×K	739.44	Joback Calculated Property
Cp,gas	650.04	J/mol×K	777.48	Joback Calculated Property
Cp,gas	668.97	J/mol×K	815.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Aromadendrene oxide-(1).

Sources

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

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