Chemical Properties of Ginsenoyne E (CAS 126146-63-2)

InChI

InChI=1S/C17H22O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,16-17H,2-3,5-7,10,13-14H2,1H3

InChI Key

WIONCQLWGYLTME-UHFFFAOYSA-N

Formula

C17H22O2

SMILES

C=CC(=O)C#CC#CCC1OC1CCCCCCC

Molecular Weight¹

258.36

CAS

126146-63-2

• 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°	423.70	kJ/mol	Joback Calculated Property
ΔfH°gas	83.70	kJ/mol	Joback Calculated Property
ΔfusH°	53.53	kJ/mol	Joback Calculated Property
ΔvapH°	67.93	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	3.266		Crippen Calculated Property
McVol	225.470	ml/mol	McGowan Calculated Property
Pc	1830.98	kPa	Joback Calculated Property
Inp	[2160.00; 2160.00]
Inp	2160.00		NIST
Inp	2160.00		NIST
Tboil	685.93	K	Joback Calculated Property
Tc	898.85	K	Joback Calculated Property
Tfus	581.99	K	Joback Calculated Property
Vc	0.875	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.93; 706.96]	J/mol×K	[685.93; 898.85]
Cp,gas	615.93	J/mol×K	685.93	Joback Calculated Property
Cp,gas	633.40	J/mol×K	721.42	Joback Calculated Property
Cp,gas	649.87	J/mol×K	756.90	Joback Calculated Property
Cp,gas	665.40	J/mol×K	792.39	Joback Calculated Property
Cp,gas	680.05	J/mol×K	827.88	Joback Calculated Property
Cp,gas	693.89	J/mol×K	863.36	Joback Calculated Property
Cp,gas	706.96	J/mol×K	898.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ginsenoyne E.

Sources

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

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