Chemical Properties of (1S,5R,6S,7R,10R)-Lemnalone

InChI

InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-11,13-14H,3,5-7H2,1-2,4H3/t10-,11+,13+,14?,15+/m1/s1

InChI Key

ONOKHKGIKQEZKP-DVHHUASFSA-N

Formula

C15H22O

SMILES

C=C1C(=O)CC2C3C(C(C)C)CCC2(C)C13

Molecular Weight¹

218.33

• 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.
• 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	0.4193		Relay (1.0) Calculated Property
ΔfG°	152.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-138.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.58	kJ/mol	Joback Calculated Property
ΔvapH°	71.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-4.30		Relay (1.0) Calculated Property
logPoct/wat	3.450		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2062.36	kPa	Joback Calculated Property
Inp	[1616.00; 1616.00]
Inp	1616.00		NIST
Inp	1616.00		NIST
Tboil	538.47	K	Relay (1.0) Calculated Property
Tc	818.40	K	Relay (1.0) Calculated Property
Tfus	334.18	K	Relay (1.0) Calculated Property
Vc	0.641	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.86; 656.73]	J/mol×K	[624.53; 850.22]
Cp,gas	542.86	J/mol×K	624.53	Joback Calculated Property
Cp,gas	564.34	J/mol×K	662.14	Joback Calculated Property
Cp,gas	584.59	J/mol×K	699.76	Joback Calculated Property
Cp,gas	603.78	J/mol×K	737.37	Joback Calculated Property
Cp,gas	622.09	J/mol×K	774.99	Joback Calculated Property
Cp,gas	639.69	J/mol×K	812.60	Joback Calculated Property
Cp,gas	656.73	J/mol×K	850.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,5R,6S,7R,10R)-Lemnalone.

Sources

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

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