Chemical Properties of 3,4,5-Triethoxybenzoic acid (CAS 6970-19-0)

InChI

InChI=1S/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15)

InChI Key

YCENSLDYFDZUMO-UHFFFAOYSA-N

Formula

C13H18O5

SMILES

CCOc1cc(C(=O)O)cc(OCC)c1OCC

Molecular Weight¹

254.28

CAS

6970-19-0

Other Names

• Benzoic acid, 3,4,5-triethoxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.49; 628.64]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.11630e+01
Coefficient B			8.42660e-01
Coefficient C			-2.53080e-04
Coefficient D			-4.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.49	J/mol×K	273.00	Calculated Property
Cp,gas	345.74	J/mol×K	353.78	Calculated Property
Cp,gas	396.10	J/mol×K	434.56	Calculated Property
Cp,gas	442.44	J/mol×K	515.33	Calculated Property
Cp,gas	484.63	J/mol×K	596.11	Calculated Property
Cp,gas	522.54	J/mol×K	676.89	Calculated Property
Cp,gas	556.02	J/mol×K	757.67	Calculated Property
Cp,gas	584.96	J/mol×K	838.44	Calculated Property
Cp,gas	609.21	J/mol×K	919.22	Calculated Property
Cp,gas	628.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003106; 0.0001107]	Pa×s	[527.54; 670.70]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.29096e+01
Coefficient B			2.54937e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			527.54
Temperature range, max.			670.70
η	0.0003106	Pa×s	527.54	Calculated Property
η	0.0002696	Pa×s	543.45	Calculated Property
η	0.0002360	Pa×s	559.35	Calculated Property
η	0.0002080	Pa×s	575.26	Calculated Property
η	0.0001846	Pa×s	591.16	Calculated Property
η	0.0001649	Pa×s	607.07	Calculated Property
η	0.0001481	Pa×s	622.98	Calculated Property
η	0.0001338	Pa×s	638.88	Calculated Property
η	0.0001214	Pa×s	654.79	Calculated Property
η	0.0001107	Pa×s	670.70	Calculated Property

Similar Compounds

Find more compounds similar to 3,4,5-Triethoxybenzoic acid.

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

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