Chemical Properties of diepi-«alpha»-Cedrene epoxide

InChI

InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11-,12?,14?,15+/m0/s1

InChI Key

HZRFVTRTTXBHSE-FXQPYSQLSA-N

Formula

C15H24O

SMILES

CC1CCC2C(C)(C)C3CC12CC1OC13C

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	0.3796		Relay (... Calculated Property
ΔfG°	192.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.41	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
ΔvapH°	70.72	kJ/mol	Relay (... Calculated Property
IE	8.82	eV	Relay (... Calculated Property
log10WS	-4.64		Relay (... Calculated Property
logPoct/wat	3.626		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1617.00; 1631.00]
Inp	1617.00		NIST
Inp	1631.00		NIST
Tboil	527.42	K	Relay (... Calculated Property
Tc	803.00	K	Relay (... Calculated Property
Tfus	351.64	K	Relay (... Calculated Property
Vc	0.717	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.98; 661.33]	J/mol×K	[583.22; 812.69]
Cp,gas	540.98	J/mol×K	583.22	Joback Calculated Property
Cp,gas	563.50	J/mol×K	621.46	Joback Calculated Property
Cp,gas	584.43	J/mol×K	659.71	Joback Calculated Property
Cp,gas	604.21	J/mol×K	697.95	Joback Calculated Property
Cp,gas	623.32	J/mol×K	736.20	Joback Calculated Property
Cp,gas	642.20	J/mol×K	774.44	Joback Calculated Property
Cp,gas	661.33	J/mol×K	812.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to diepi-«alpha»-Cedrene epoxide.

Sources

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

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