Chemical Properties of (+)-(5S,6S,7S)-Plagiochiline X

InChI

InChI=1S/C15H20O/c1-9-5-6-12-14(15(12,3)4)13-10(2)7-16-8-11(9)13/h5,8,12-14H,2,6-7H2,1,3-4H3/t12-,13-,14-/m0/s1

InChI Key

MPCQKDYYHFZZAW-IHRRRGAJSA-N

Formula

C15H20O

SMILES

C=C1COC=C2C(C)=CCC3C(C12)C3(C)C

Molecular Weight¹

216.32

• 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°	215.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-113.25	kJ/mol	Joback Calculated Property
ΔfusH°	25.97	kJ/mol	Joback Calculated Property
ΔvapH°	54.36	kJ/mol	Joback Calculated Property
log10WS	-3.96		Crippen Calculated Property
logPoct/wat	3.695		Crippen Calculated Property
McVol	182.600	ml/mol	McGowan Calculated Property
Pc	2206.22	kPa	Joback Calculated Property
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST
Tboil	605.59	K	Joback Calculated Property
Tc	832.53	K	Joback Calculated Property
Tfus	388.54	K	Joback Calculated Property
Vc	0.697	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.21; 603.36]	J/mol×K	[605.59; 832.53]
Cp,gas	499.21	J/mol×K	605.59	Joback Calculated Property
Cp,gas	519.05	J/mol×K	643.41	Joback Calculated Property
Cp,gas	537.65	J/mol×K	681.24	Joback Calculated Property
Cp,gas	555.20	J/mol×K	719.06	Joback Calculated Property
Cp,gas	571.88	J/mol×K	756.89	Joback Calculated Property
Cp,gas	587.87	J/mol×K	794.71	Joback Calculated Property
Cp,gas	603.36	J/mol×K	832.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-(5S,6S,7S)-Plagiochiline X.

Sources

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

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