Chemical Properties of 11,12,13-tri-nor-cis-Eudesma-5,8-dien-7-one

InChI

InChI=1S/C12H16O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h5,7-9H,3-4,6H2,1-2H3/t9-,12+/m0/s1

InChI Key

SPNLYFPIWOEXSG-JOYOIKCWSA-N

Formula

C12H16O

SMILES

CC1CCCC2(C)C=CC(=O)C=C12

Molecular Weight¹

176.25

Other Names

• 11,12,13-tris-nor-cis-Eudesma-5,8-dien-7-one

• 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.
• I : 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°	45.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-188.42	kJ/mol	Joback Calculated Property
ΔfusH°	9.97	kJ/mol	Joback Calculated Property
ΔvapH°	47.16	kJ/mol	Joback Calculated Property
log10WS	-3.14		Crippen Calculated Property
logPoct/wat	2.878		Crippen Calculated Property
McVol	151.190	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[1536.00; 1540.00]
Inp	1540.00		NIST
Inp	1536.00		NIST
I	2342.00		NIST
Tboil	575.88	K	Joback Calculated Property
Tc	821.75	K	Joback Calculated Property
Tfus	352.96	K	Joback Calculated Property
Vc	0.567	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.39; 485.47]	J/mol×K	[575.88; 821.75]
Cp,gas	384.39	J/mol×K	575.88	Joback Calculated Property
Cp,gas	403.89	J/mol×K	616.86	Joback Calculated Property
Cp,gas	422.12	J/mol×K	657.84	Joback Calculated Property
Cp,gas	439.24	J/mol×K	698.81	Joback Calculated Property
Cp,gas	455.40	J/mol×K	739.79	Joback Calculated Property
Cp,gas	470.76	J/mol×K	780.77	Joback Calculated Property
Cp,gas	485.47	J/mol×K	821.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11,12,13-tri-nor-cis-Eudesma-5,8-dien-7-one.

Sources

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

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