Chemical Properties of sedanenolide

InChI

InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7-9H,2-6H2,1H3/b11-8-

InChI Key

OFKAWRNOBJDJFC-FLIBITNWSA-N

Formula

C12H16O2

SMILES

CCCC=C1OC(=O)C2=CCCCC12

Molecular Weight¹

192.25

• 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°	0.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-290.91	kJ/mol	Joback Calculated Property
ΔfusH°	24.38	kJ/mol	Joback Calculated Property
ΔvapH°	53.45	kJ/mol	Joback Calculated Property
log10WS	-3.46		Crippen Calculated Property
logPoct/wat	2.954		Crippen Calculated Property
McVol	157.060	ml/mol	McGowan Calculated Property
Pc	2695.80	kPa	Joback Calculated Property
Inp	[1701.00; 1701.00]
Inp	1701.00		NIST
Inp	1701.00		NIST
Tboil	610.47	K	Joback Calculated Property
Tc	840.28	K	Joback Calculated Property
Tfus	372.99	K	Joback Calculated Property
Vc	0.596	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.04; 504.02]	J/mol×K	[610.47; 840.28]
Cp,gas	415.04	J/mol×K	610.47	Joback Calculated Property
Cp,gas	432.43	J/mol×K	648.77	Joback Calculated Property
Cp,gas	448.74	J/mol×K	687.07	Joback Calculated Property
Cp,gas	464.01	J/mol×K	725.38	Joback Calculated Property
Cp,gas	478.29	J/mol×K	763.68	Joback Calculated Property
Cp,gas	491.61	J/mol×K	801.98	Joback Calculated Property
Cp,gas	504.02	J/mol×K	840.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to sedanenolide.

Sources

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

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