Chemical Properties of 15-nor-3-Gymnomitrone

InChI

InChI=1S/C14H22O/c1-12-8-5-11(15)10(9-12)13(2)6-4-7-14(12,13)3/h10H,4-9H2,1-3H3/t10?,12-,13+,14-/m0/s1

InChI Key

VLWAAPCZYHOYCB-VWPFFFCUSA-N

Formula

C14H22O

SMILES

CC12CCC(=O)C(C1)C1(C)CCCC21C

Molecular Weight¹

206.32

Other Names

• nor-3-Gymnomitrone

• 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°	78.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.53	kJ/mol	Joback Calculated Property
ΔfusH°	3.91	kJ/mol	Joback Calculated Property
ΔvapH°	47.33	kJ/mol	Joback Calculated Property
log10WS	-3.68		Crippen Calculated Property
logPoct/wat	3.572		Crippen Calculated Property
McVol	177.110	ml/mol	McGowan Calculated Property
Pc	2537.93	kPa	Joback Calculated Property
Inp	[1612.00; 1653.00]
Inp	1653.00		NIST
Inp	1653.00		NIST
Inp	1612.00		NIST
Tboil	612.35	K	Joback Calculated Property
Tc	862.61	K	Joback Calculated Property
Tfus	430.00	K	Joback Calculated Property
Vc	0.674	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.56; 631.63]	J/mol×K	[612.35; 862.61]
Cp,gas	507.56	J/mol×K	612.35	Joback Calculated Property
Cp,gas	529.66	J/mol×K	654.06	Joback Calculated Property
Cp,gas	550.53	J/mol×K	695.77	Joback Calculated Property
Cp,gas	570.66	J/mol×K	737.48	Joback Calculated Property
Cp,gas	590.55	J/mol×K	779.19	Joback Calculated Property
Cp,gas	610.71	J/mol×K	820.90	Joback Calculated Property
Cp,gas	631.63	J/mol×K	862.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 15-nor-3-Gymnomitrone.

Sources

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

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