Chemical Properties of Propyl 3,4,5-triacetoxybenzoate

InChI

InChI=1S/C16H18O8/c1-5-6-21-16(20)12-7-13(22-9(2)17)15(24-11(4)19)14(8-12)23-10(3)18/h7-8H,5-6H2,1-4H3

InChI Key

SZGQQTUWXGYOOA-UHFFFAOYSA-N

Formula

C16H18O8

SMILES

CCCOC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1

Molecular Weight¹

338.31

• 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°	-768.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1150.65	kJ/mol	Joback Calculated Property
ΔfusH°	41.22	kJ/mol	Joback Calculated Property
ΔvapH°	92.10	kJ/mol	Joback Calculated Property
log10WS	-3.49		Crippen Calculated Property
logPoct/wat	2.029		Crippen Calculated Property
McVol	242.300	ml/mol	McGowan Calculated Property
Pc	1916.94	kPa	Joback Calculated Property
Inp	[2225.00; 2225.00]
Inp	2225.00		NIST
Inp	2225.00		NIST
Tboil	912.26	K	Joback Calculated Property
Tc	1129.47	K	Joback Calculated Property
Tfus	622.70	K	Joback Calculated Property
Vc	0.919	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[724.77; 765.16]	J/mol×K	[912.26; 1129.47]
Cp,gas	724.77	J/mol×K	912.26	Joback Calculated Property
Cp,gas	735.00	J/mol×K	948.46	Joback Calculated Property
Cp,gas	743.87	J/mol×K	984.66	Joback Calculated Property
Cp,gas	751.36	J/mol×K	1020.87	Joback Calculated Property
Cp,gas	757.43	J/mol×K	1057.07	Joback Calculated Property
Cp,gas	762.04	J/mol×K	1093.27	Joback Calculated Property
Cp,gas	765.16	J/mol×K	1129.47	Joback Calculated Property
η	[0.0000513; 0.0002582]	Pa×s	[622.70; 912.26]
η	0.0002582	Pa×s	622.70	Joback Calculated Property
η	0.0001791	Pa×s	670.96	Joback Calculated Property
η	0.0001304	Pa×s	719.22	Joback Calculated Property
η	0.0000988	Pa×s	767.48	Joback Calculated Property
η	0.0000774	Pa×s	815.74	Joback Calculated Property
η	0.0000623	Pa×s	864.00	Joback Calculated Property
η	0.0000513	Pa×s	912.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propyl 3,4,5-triacetoxybenzoate.

Sources

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

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