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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0320		Relay (1.0) Calculated Property
ΔfG°	-834.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1626.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.11	kJ/mol	Joback Calculated Property
ΔvapH°	120.78	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) 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
Pc	1419.71	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	655.13	K	Relay (1.0) Calculated Property
Tc	851.66	K	Relay (1.0) Calculated Property
Tfus	340.20	K	Relay (1.0) Calculated Property
Vc	1.123	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[981.77; 1006.37]	J/mol×K	[1020.34; 1249.73]
Cp,gas	981.77	J/mol×K	1020.34	Joback Calculated Property
Cp,gas	990.76	J/mol×K	1058.57	Joback Calculated Property
Cp,gas	997.75	J/mol×K	1096.80	Joback Calculated Property
Cp,gas	1002.71	J/mol×K	1135.04	Joback Calculated Property
Cp,gas	1005.59	J/mol×K	1173.27	Joback Calculated Property
Cp,gas	1006.37	J/mol×K	1211.50	Joback Calculated Property
Cp,gas	1005.01	J/mol×K	1249.73	Joback Calculated Property
η	[0.0000170; 0.0001447]	Pa×s	[647.49; 1020.34]
η	0.0001447	Pa×s	647.49	Joback Calculated Property
η	0.0000866	Pa×s	709.63	Joback Calculated Property
η	0.0000563	Pa×s	771.77	Joback Calculated Property
η	0.0000390	Pa×s	833.91	Joback Calculated Property
η	0.0000285	Pa×s	896.06	Joback Calculated Property
η	0.0000216	Pa×s	958.20	Joback Calculated Property
η	0.0000170	Pa×s	1020.34	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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