Chemical Properties of 3,15-«alpha»-Epoxy-4«beta»-acetoxygymnomitrane

InChI

InChI=1S/C17H26O3/c1-11(18)20-13-9-14(2)8-12(17(13)10-19-17)15(3)6-5-7-16(14,15)4/h12-13H,5-10H2,1-4H3/t12?,13-,14+,15+,16-,17-/m0/s1

InChI Key

RPIPUNFNXUXZEF-PIDBEKOSSA-N

Formula

C17H26O3

SMILES

CC(=O)OC1CC2(C)CC(C13CO3)C1(C)CCCC21C

Molecular Weight¹

278.39

Other Names

• (-)3«alpha»,15«alpha»-Epoxy-4«beta»-acetoxygymnomitrane

• 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°	-34.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.69	kJ/mol	Joback Calculated Property
ΔfusH°	17.94	kJ/mol	Joback Calculated Property
ΔvapH°	61.70	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen Calculated Property
logPoct/wat	3.313		Crippen Calculated Property
McVol	220.260	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1887.00; 1887.00]
Inp	1887.00		NIST
Inp	1887.00		NIST
Inp	1887.00		NIST
Tboil	714.45	K	Joback Calculated Property
Tc	953.81	K	Joback Calculated Property
Tfus	535.44	K	Joback Calculated Property
Vc	0.843	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.38; 848.88]	J/mol×K	[714.45; 953.81]
Cp,gas	701.38	J/mol×K	714.45	Joback Calculated Property
Cp,gas	723.44	J/mol×K	754.34	Joback Calculated Property
Cp,gas	745.69	J/mol×K	794.24	Joback Calculated Property
Cp,gas	768.74	J/mol×K	834.13	Joback Calculated Property
Cp,gas	793.21	J/mol×K	874.02	Joback Calculated Property
Cp,gas	819.72	J/mol×K	913.91	Joback Calculated Property
Cp,gas	848.88	J/mol×K	953.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,15-«alpha»-Epoxy-4«beta»-acetoxygymnomitrane.

Sources

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

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