Chemical Properties of 1,2-Diacetoxy-3-[4-acetoxy-2-(2-acetoxy)propyl]phenoxypropane

InChI

InChI=1S/C20H26O9/c1-12(27-14(3)22)8-17-9-18(28-15(4)23)6-7-20(17)26-11-19(29-16(5)24)10-25-13(2)21/h6-7,9,12,19H,8,10-11H2,1-5H3

InChI Key

XCGBFJXUDBUTAP-UHFFFAOYSA-N

Formula

C20H26O9

SMILES

CC(=O)OCC(COc1ccc(OC(C)=O)cc1CC(C)OC(C)=O)OC(C)=O

Molecular Weight¹

410.42

Other Names

• Alprenolol desaminodihydroxy + H2O, 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).
• 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°	52.44	kJ/mol	Joback Calculated Property
log10WS	-2.54		Relay (1.0) Calculated Property
logPoct/wat	1.980		Crippen Calculated Property
McVol	304.530	ml/mol	McGowan Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	655.13	K	Relay (1.0) Calculated Property
Tfus	333.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[964.54; 997.06]	J/mol×K	[948.26; 1163.93]
Cp,gas	964.54	J/mol×K	948.26	Joback Calculated Property
Cp,gas	974.68	J/mol×K	984.20	Joback Calculated Property
Cp,gas	982.97	J/mol×K	1020.15	Joback Calculated Property
Cp,gas	989.37	J/mol×K	1056.09	Joback Calculated Property
Cp,gas	993.87	J/mol×K	1092.04	Joback Calculated Property
Cp,gas	996.44	J/mol×K	1127.98	Joback Calculated Property
Cp,gas	997.06	J/mol×K	1163.93	Joback Calculated Property
η	[0.0000098; 0.0002549]	Pa×s	[528.17; 948.26]
η	0.0002549	Pa×s	528.17	Joback Calculated Property
η	0.0001079	Pa×s	598.19	Joback Calculated Property
η	0.0000547	Pa×s	668.20	Joback Calculated Property
η	0.0000315	Pa×s	738.22	Joback Calculated Property
η	0.0000200	Pa×s	808.23	Joback Calculated Property
η	0.0000136	Pa×s	878.25	Joback Calculated Property
η	0.0000098	Pa×s	948.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Diacetoxy-3-[4-acetoxy-2-(2-acetoxy)propyl]phenoxypropane.

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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