Chemical Properties of 4-Oxo-«beta»-isodamascol

InChI

InChI=1S/C13H20O2/c1-8(2)12(15)11-9(3)10(14)6-7-13(11,4)5/h12,15H,1,6-7H2,2-5H3

InChI Key

SLCFYYKEJSZUCI-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

C=C(C)C(O)C1=C(C)C(=O)CCC1(C)C

Molecular Weight¹

208.30

• 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°	-94.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.82	kJ/mol	Joback Calculated Property
ΔfusH°	12.89	kJ/mol	Joback Calculated Property
ΔvapH°	65.37	kJ/mol	Joback Calculated Property
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	2.629		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Pc	2431.44	kPa	Joback Calculated Property
Inp	[1753.00; 1753.00]
Inp	1753.00		NIST
Inp	1753.00		NIST
Tboil	681.87	K	Joback Calculated Property
Tc	893.36	K	Joback Calculated Property
Tfus	391.67	K	Joback Calculated Property
Vc	0.682	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[508.77; 595.54]	J/mol×K	[681.87; 893.36]
Cp,gas	508.77	J/mol×K	681.87	Joback Calculated Property
Cp,gas	524.65	J/mol×K	717.12	Joback Calculated Property
Cp,gas	539.86	J/mol×K	752.37	Joback Calculated Property
Cp,gas	554.46	J/mol×K	787.62	Joback Calculated Property
Cp,gas	568.55	J/mol×K	822.87	Joback Calculated Property
Cp,gas	582.22	J/mol×K	858.12	Joback Calculated Property
Cp,gas	595.54	J/mol×K	893.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Oxo-«beta»-isodamascol.

Sources

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

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