Chemical Properties of R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-desamino-oxo-), diethylated

InChI

InChI=1S/C13H16O4/c1-4-16-11-7-6-10(13(15)9(3)14)8-12(11)17-5-2/h6-8H,4-5H2,1-3H3

InChI Key

HNGITVMKHKWGFD-UHFFFAOYSA-N

Formula

C13H16O4

SMILES

CCOc1ccc(C(=O)C(C)=O)cc1OCC

Molecular Weight¹

236.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-316.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-587.66	kJ/mol	Joback Calculated Property
ΔfusH°	28.26	kJ/mol	Joback Calculated Property
ΔvapH°	66.44	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	2.256		Crippen Calculated Property
McVol	185.150	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1720.00; 1720.00]
Inp	1720.00		NIST
Inp	1720.00		NIST
Tboil	686.06	K	Joback Calculated Property
Tc	895.59	K	Joback Calculated Property
Tfus	432.05	K	Joback Calculated Property
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.62; 556.74]	J/mol×K	[686.06; 895.59]
Cp,gas	486.62	J/mol×K	686.06	Joback Calculated Property
Cp,gas	500.39	J/mol×K	720.98	Joback Calculated Property
Cp,gas	513.32	J/mol×K	755.90	Joback Calculated Property
Cp,gas	525.43	J/mol×K	790.82	Joback Calculated Property
Cp,gas	536.70	J/mol×K	825.74	Joback Calculated Property
Cp,gas	547.14	J/mol×K	860.66	Joback Calculated Property
Cp,gas	556.74	J/mol×K	895.59	Joback Calculated Property
η	[0.0001331; 0.0008784]	Pa×s	[432.05; 686.06]
η	0.0008784	Pa×s	432.05	Joback Calculated Property
η	0.0005574	Pa×s	474.38	Joback Calculated Property
η	0.0003810	Pa×s	516.72	Joback Calculated Property
η	0.0002760	Pa×s	559.06	Joback Calculated Property
η	0.0002091	Pa×s	601.39	Joback Calculated Property
η	0.0001644	Pa×s	643.73	Joback Calculated Property
η	0.0001331	Pa×s	686.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-desamino-oxo-), diethylated.

Sources

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

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