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

384.43

Other Names

• Propafenone desamino hydroxy, acetylated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.43	kJ/mol	Joback Calculated Property
ΔvapH°	133.23	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.90		Relay (1.0) Calculated Property
logPoct/wat	3.376		Crippen Calculated Property
McVol	295.640	ml/mol	McGowan Calculated Property
Inp	[2715.00; 2715.00]
Inp	2715.00		NIST
Inp	2715.00		NIST
Tboil	688.84	K	Relay (1.0) Calculated Property
Tfus	330.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[924.73; 969.78]	J/mol×K	[953.59; 1180.39]
Cp,gas	924.73	J/mol×K	953.59	Joback Calculated Property
Cp,gas	936.14	J/mol×K	991.39	Joback Calculated Property
Cp,gas	945.95	J/mol×K	1029.19	Joback Calculated Property
Cp,gas	954.18	J/mol×K	1066.99	Joback Calculated Property
Cp,gas	960.88	J/mol×K	1104.79	Joback Calculated Property
Cp,gas	966.06	J/mol×K	1142.59	Joback Calculated Property
Cp,gas	969.78	J/mol×K	1180.39	Joback Calculated Property
η	[0.0000206; 0.0003452]	Pa×s	[544.88; 953.59]
η	0.0003452	Pa×s	544.88	Joback Calculated Property
η	0.0001662	Pa×s	613.00	Joback Calculated Property
η	0.0000927	Pa×s	681.12	Joback Calculated Property
η	0.0000574	Pa×s	749.23	Joback Calculated Property
η	0.0000386	Pa×s	817.35	Joback Calculated Property
η	0.0000275	Pa×s	885.47	Joback Calculated Property
η	0.0000206	Pa×s	953.59	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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