Chemical Properties of 3-Phenylacetoxy-6,7-epoxynortropane

InChI

InChI=1S/C15H17NO3/c17-13(6-9-4-2-1-3-5-9)18-10-7-11-14-15(19-14)12(8-10)16-11/h1-5,10-12,14-16H,6-8H2/t10?,11-,12+,14?,15?

InChI Key

CTEVTHIFBCUTCT-NRBJTNBDSA-N

Formula

C15H17NO3

SMILES

O=C(Cc1ccccc1)OC1CC2NC(C1)C1OC21

Molecular Weight¹

259.30

• 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°	122.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-277.67	kJ/mol	Joback Calculated Property
ΔfusH°	45.55	kJ/mol	Joback Calculated Property
ΔvapH°	70.80	kJ/mol	Joback Calculated Property
log10WS	-2.59		Crippen Calculated Property
logPoct/wat	1.042		Crippen Calculated Property
McVol	189.160	ml/mol	McGowan Calculated Property
Pc	2654.29	kPa	Joback Calculated Property
Inp	[1968.00; 1968.00]
Inp	1968.00		NIST
Inp	1968.00		NIST
Tboil	731.95	K	Joback Calculated Property
Tc	970.17	K	Joback Calculated Property
Tfus	534.33	K	Joback Calculated Property
Vc	0.719	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.13; 676.62]	J/mol×K	[731.95; 970.17]
Cp,gas	588.13	J/mol×K	731.95	Joback Calculated Property
Cp,gas	605.68	J/mol×K	771.65	Joback Calculated Property
Cp,gas	621.95	J/mol×K	811.36	Joback Calculated Property
Cp,gas	637.05	J/mol×K	851.06	Joback Calculated Property
Cp,gas	651.11	J/mol×K	890.76	Joback Calculated Property
Cp,gas	664.26	J/mol×K	930.47	Joback Calculated Property
Cp,gas	676.62	J/mol×K	970.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylacetoxy-6,7-epoxynortropane.

Sources

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

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