Chemical Properties of 1-(2,3-Diacetoxypropoxy)-2-(2-acetoxypropyl)benzene

InChI

InChI=1S/C18H24O7/c1-12(24-14(3)20)9-16-7-5-6-8-18(16)23-11-17(25-15(4)21)10-22-13(2)19/h5-8,12,17H,9-11H2,1-4H3

InChI Key

OUGIXDAAJGZKRM-UHFFFAOYSA-N

Formula

C18H24O7

SMILES

CC(=O)OCC(COc1ccccc1CC(C)OC(C)=O)OC(C)=O

Molecular Weight¹

352.38

Other Names

• Alprenolol desaminohydroxy + H2O, 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°	-608.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1066.97	kJ/mol	Joback Calculated Property
ΔfusH°	38.53	kJ/mol	Joback Calculated Property
ΔvapH°	87.70	kJ/mol	Joback Calculated Property
log10WS	-2.97		Crippen Calculated Property
logPoct/wat	2.054		Crippen Calculated Property
McVol	268.910	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[2100.00; 2100.00]
Inp	2100.00		NIST
Inp	2100.00		NIST
Tboil	893.31	K	Joback Calculated Property
Tc	1105.62	K	Joback Calculated Property
Tfus	540.27	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[833.70; 890.53]	J/mol×K	[893.31; 1105.62]
Cp,gas	833.70	J/mol×K	893.31	Joback Calculated Property
Cp,gas	846.64	J/mol×K	928.70	Joback Calculated Property
Cp,gas	858.20	J/mol×K	964.08	Joback Calculated Property
Cp,gas	868.39	J/mol×K	999.47	Joback Calculated Property
Cp,gas	877.18	J/mol×K	1034.85	Joback Calculated Property
Cp,gas	884.57	J/mol×K	1070.24	Joback Calculated Property
Cp,gas	890.53	J/mol×K	1105.62	Joback Calculated Property
η	[0.0000326; 0.0003617]	Pa×s	[540.27; 893.31]
η	0.0003617	Pa×s	540.27	Joback Calculated Property
η	0.0001989	Pa×s	599.11	Joback Calculated Property
η	0.0001217	Pa×s	657.95	Joback Calculated Property
η	0.0000807	Pa×s	716.79	Joback Calculated Property
η	0.0000570	Pa×s	775.63	Joback Calculated Property
η	0.0000423	Pa×s	834.47	Joback Calculated Property
η	0.0000326	Pa×s	893.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,3-Diacetoxypropoxy)-2-(2-acetoxypropyl)benzene.

Sources

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

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