Chemical Properties of Silphiperfol-5-en-3-one B (CAS 199014-11-4)

InChI

InChI=1S/C15H22O/c1-9-5-6-15-11(3)10(2)8-14(15,4)13(16)7-12(9)15/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12?,14-,15+/m1/s1

InChI Key

WTORUARCGCVBSQ-SZNYSYDQSA-N

Formula

C15H22O

SMILES

CC1=CC2(C)C(=O)CC3C(C)CCC32C1C

Molecular Weight¹

218.33

CAS

199014-11-4

• 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°	104.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-248.44	kJ/mol	Joback Calculated Property
ΔfusH°	14.70	kJ/mol	Joback Calculated Property
ΔvapH°	51.35	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1538.00; 1559.00]
Inp	1559.00		NIST
Inp	1538.00		NIST
Inp	1538.00		NIST
Tboil	634.46	K	Joback Calculated Property
Tc	873.09	K	Joback Calculated Property
Tfus	426.41	K	Joback Calculated Property
Vc	0.718	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.90; 662.89]	J/mol×K	[634.46; 873.09]
Cp,gas	542.90	J/mol×K	634.46	Joback Calculated Property
Cp,gas	564.64	J/mol×K	674.23	Joback Calculated Property
Cp,gas	585.28	J/mol×K	714.00	Joback Calculated Property
Cp,gas	605.11	J/mol×K	753.77	Joback Calculated Property
Cp,gas	624.46	J/mol×K	793.54	Joback Calculated Property
Cp,gas	643.61	J/mol×K	833.32	Joback Calculated Property
Cp,gas	662.89	J/mol×K	873.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Silphiperfol-5-en-3-one B.

Sources

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

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