Chemical Properties of (+)-8, 9-Epoxyselina-4,11-diene

InChI

InChI=1S/C15H22O/c1-9(2)11-8-12-10(3)6-5-7-15(12,4)14-13(11)16-14/h11,13-14H,1,5-8H2,2-4H3

InChI Key

HPCVOEQSOLQFPZ-UHFFFAOYSA-N

Formula

C15H22O

SMILES

C=C(C)C1CC2=C(C)CCCC2(C)C2OC12

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°	224.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-133.47	kJ/mol	Joback Calculated Property
ΔfusH°	25.42	kJ/mol	Joback Calculated Property
ΔvapH°	53.14	kJ/mol	Joback Calculated Property
log10WS	-4.32		Crippen Calculated Property
logPoct/wat	3.857		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[1596.00; 1596.00]
Inp	1596.00		NIST
Inp	1596.00		NIST
Tboil	599.56	K	Joback Calculated Property
Tc	823.57	K	Joback Calculated Property
Tfus	361.90	K	Joback Calculated Property
Vc	0.717	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.44; 627.81]	J/mol×K	[599.56; 823.57]
Cp,gas	518.44	J/mol×K	599.56	Joback Calculated Property
Cp,gas	539.34	J/mol×K	636.89	Joback Calculated Property
Cp,gas	558.90	J/mol×K	674.23	Joback Calculated Property
Cp,gas	577.33	J/mol×K	711.56	Joback Calculated Property
Cp,gas	594.83	J/mol×K	748.90	Joback Calculated Property
Cp,gas	611.59	J/mol×K	786.23	Joback Calculated Property
Cp,gas	627.81	J/mol×K	823.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-8, 9-Epoxyselina-4,11-diene.

Sources

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

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