Chemical Properties of 1,2-Diacetoxy-3-[2-(3-phenylpropionyl)phenoxy]propane

InChI

InChI=1S/C22H24O6/c1-16(23)26-14-19(28-17(2)24)15-27-22-11-7-6-10-20(22)21(25)13-12-18-8-4-3-5-9-18/h3-11,19H,12-15H2,1-2H3

InChI Key

BIOFQKZXILPLAT-UHFFFAOYSA-N

Formula

C22H24O6

SMILES

CC(=O)OCC(COc1ccccc1C(=O)CCc1ccccc1)OC(C)=O

Molecular Weight¹

384.42

Other Names

• Propafenone desamino hydroxy, acetylated

• 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°	-354.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-775.50	kJ/mol	Joback Calculated Property
ΔfusH°	45.27	kJ/mol	Joback Calculated Property
ΔvapH°	96.86	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	3.376		Crippen Calculated Property
McVol	295.640	ml/mol	McGowan Calculated Property
Pc	1553.67	kPa	Joback Calculated Property
Inp	[2715.00; 2715.00]
Inp	2715.00		NIST
Inp	2715.00		NIST
Tboil	989.53	K	Joback Calculated Property
Tc	1221.32	K	Joback Calculated Property
Tfus	604.54	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[934.16; 978.31]	J/mol×K	[989.53; 1221.32]
Cp,gas	934.16	J/mol×K	989.53	Joback Calculated Property
Cp,gas	945.31	J/mol×K	1028.16	Joback Calculated Property
Cp,gas	954.90	J/mol×K	1066.79	Joback Calculated Property
Cp,gas	962.97	J/mol×K	1105.43	Joback Calculated Property
Cp,gas	969.54	J/mol×K	1144.06	Joback Calculated Property
Cp,gas	974.65	J/mol×K	1182.69	Joback Calculated Property
Cp,gas	978.31	J/mol×K	1221.32	Joback Calculated Property
η	[0.0000273; 0.0002662]	Pa×s	[604.54; 989.53]
η	0.0002662	Pa×s	604.54	Joback Calculated Property
η	0.0001518	Pa×s	668.70	Joback Calculated Property
η	0.0000955	Pa×s	732.87	Joback Calculated Property
η	0.0000647	Pa×s	797.03	Joback Calculated Property
η	0.0000465	Pa×s	861.20	Joback Calculated Property
η	0.0000350	Pa×s	925.37	Joback Calculated Property
η	0.0000273	Pa×s	989.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Diacetoxy-3-[2-(3-phenylpropionyl)phenoxy]propane.

Sources

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

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