Chemical Properties of 13-nor-trans-Eudesma-4(15),7-dien-11-one

InChI

InChI=1S/C14H20O/c1-10-5-4-7-14(3)8-6-12(11(2)15)9-13(10)14/h6,13H,1,4-5,7-9H2,2-3H3/t13-,14+/m0/s1

InChI Key

TUDQWZYQYYRFMJ-UONOGXRCSA-N

Formula

C14H20O

SMILES

C=C1CCCC2(C)CC=C(C(C)=O)CC12

Molecular Weight¹

204.31

• 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°	79.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-178.12	kJ/mol	Joback Calculated Property
ΔfusH°	14.86	kJ/mol	Joback Calculated Property
ΔvapH°	53.98	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	3.658		Crippen Calculated Property
McVol	179.370	ml/mol	McGowan Calculated Property
Pc	2370.28	kPa	Joback Calculated Property
Inp	[1645.00; 1645.00]
Inp	1645.00		NIST
Inp	1645.00		NIST
I	[2325.00; 2325.00]
I	2325.00		NIST
I	2325.00		NIST
Tboil	607.69	K	Joback Calculated Property
Tc	837.36	K	Joback Calculated Property
Tfus	370.13	K	Joback Calculated Property
Vc	0.675	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.85; 576.71]	J/mol×K	[607.69; 837.36]
Cp,gas	473.85	J/mol×K	607.69	Joback Calculated Property
Cp,gas	493.52	J/mol×K	645.97	Joback Calculated Property
Cp,gas	511.96	J/mol×K	684.25	Joback Calculated Property
Cp,gas	529.34	J/mol×K	722.52	Joback Calculated Property
Cp,gas	545.82	J/mol×K	760.80	Joback Calculated Property
Cp,gas	561.56	J/mol×K	799.08	Joback Calculated Property
Cp,gas	576.71	J/mol×K	837.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 13-nor-trans-Eudesma-4(15),7-dien-11-one.

Sources

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

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