Chemical Properties of 15-nor-Funebran-3-one

InChI

InChI=1S/C14H22O/c1-9-4-5-12-13(2,3)10-8-14(9,12)7-6-11(10)15/h9-10,12H,4-8H2,1-3H3/t9-,10-,12?,14-/m1/s1

InChI Key

LHRXTEZLJOREFX-QTQSFLCGSA-N

Formula

C14H22O

SMILES

CC1CCC2C(C)(C)C3CC12CCC3=O

Molecular Weight¹

206.32

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3874		Relay (1.0) Calculated Property
ΔfG°	76.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.28	kJ/mol	Joback Calculated Property
ΔvapH°	70.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	3.428		Crippen Calculated Property
McVol	177.110	ml/mol	McGowan Calculated Property
Pc	2349.64	kPa	Joback Calculated Property
Inp	[1562.00; 1599.00]
Inp	1599.00		NIST
Inp	1562.00		NIST
Inp	1562.00		NIST
Inp	1562.00		NIST
I	[2150.00; 2150.00]
I	2150.00		NIST
I	2150.00		NIST
Tboil	543.20	K	Relay (1.0) Calculated Property
Tc	811.55	K	Relay (1.0) Calculated Property
Tfus	401.59	K	Relay (1.0) Calculated Property
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.23; 633.95]	J/mol×K	[607.44; 847.85]
Cp,gas	511.23	J/mol×K	607.44	Joback Calculated Property
Cp,gas	534.02	J/mol×K	647.51	Joback Calculated Property
Cp,gas	555.46	J/mol×K	687.58	Joback Calculated Property
Cp,gas	575.85	J/mol×K	727.65	Joback Calculated Property
Cp,gas	595.52	J/mol×K	767.72	Joback Calculated Property
Cp,gas	614.78	J/mol×K	807.79	Joback Calculated Property
Cp,gas	633.95	J/mol×K	847.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to 15-nor-Funebran-3-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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