Chemical Properties of 7-epi-bourbon-3-en-5,11-oxide

InChI

InChI=1S/C15H22O/c1-9-5-6-11-14(4)8-7-10-12(14)15(9,11)16-13(10,2)3/h5,10-12H,6-8H2,1-4H3/t10-,11-,12-,14-,15+/m0/s1

InChI Key

MMJLGRDTAHXVGD-ZCRGAIPPSA-N

Formula

C15H22O

SMILES

CC1=CCC2C3(C)CCC4C3C12OC4(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°	220.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-142.38	kJ/mol	Joback Calculated Property
ΔfusH°	19.21	kJ/mol	Joback Calculated Property
ΔvapH°	50.03	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	3.546		Crippen Calculated Property
McVol	180.340	ml/mol	McGowan Calculated Property
Pc	2363.37	kPa	Joback Calculated Property
Inp	[1471.00; 1471.00]
Inp	1471.00		NIST
Inp	1471.00		NIST
Tboil	592.03	K	Joback Calculated Property
Tc	824.75	K	Joback Calculated Property
Tfus	433.64	K	Joback Calculated Property
Vc	0.703	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.88; 630.99]	J/mol×K	[592.03; 824.75]
Cp,gas	519.88	J/mol×K	592.03	Joback Calculated Property
Cp,gas	540.32	J/mol×K	630.82	Joback Calculated Property
Cp,gas	559.35	J/mol×K	669.60	Joback Calculated Property
Cp,gas	577.46	J/mol×K	708.39	Joback Calculated Property
Cp,gas	595.11	J/mol×K	747.17	Joback Calculated Property
Cp,gas	612.80	J/mol×K	785.96	Joback Calculated Property
Cp,gas	630.99	J/mol×K	824.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-epi-bourbon-3-en-5,11-oxide.

Sources

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

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