Chemical Properties of 1,2,4-Benzenetriol, triacetate (CAS 613-03-6)

InChI

InChI=1S/C12H12O6/c1-7(13)16-10-4-5-11(17-8(2)14)12(6-10)18-9(3)15/h4-6H,1-3H3

InChI Key

AESFGSJWSUZRGW-UHFFFAOYSA-N

Formula

C12H12O6

SMILES

CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1

Molecular Weight¹

252.22

CAS

613-03-6

Other Names

• 1,2,4-Triacetoxybenzene
• 2-Hydroxyhydroquinone triacetate
• Hydroxyhydroquinone triacetate
• Triacetate d'hydroxyhydroquinone
• benzene-1,2,4-triyl triacetate

• 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).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[256.90; 538.14]	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			6.29000e+01
Coefficient B			7.81560e-01
Coefficient C			-2.42320e-04
Coefficient D			-6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.90	J/mol×K	273.00	Calculated Property
Cp,gas	306.24	J/mol×K	353.78	Calculated Property
Cp,gas	351.52	J/mol×K	434.56	Calculated Property
Cp,gas	392.55	J/mol×K	515.33	Calculated Property
Cp,gas	429.13	J/mol×K	596.11	Calculated Property
Cp,gas	461.05	J/mol×K	676.89	Calculated Property
Cp,gas	488.12	J/mol×K	757.67	Calculated Property
Cp,gas	510.12	J/mol×K	838.44	Calculated Property
Cp,gas	526.86	J/mol×K	919.22	Calculated Property
Cp,gas	538.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011138; 0.0001176]	Pa×s	[403.45; 627.51]	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			-1.30967e+01
Coefficient B			2.54042e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			403.45
Temperature range, max.			627.51
η	0.0011138	Pa×s	403.45	Calculated Property
η	0.0007725	Pa×s	428.35	Calculated Property
η	0.0005577	Pa×s	453.24	Calculated Property
η	0.0004165	Pa×s	478.14	Calculated Property
η	0.0003202	Pa×s	503.03	Calculated Property
η	0.0002524	Pa×s	527.93	Calculated Property
η	0.0002032	Pa×s	552.83	Calculated Property
η	0.0001667	Pa×s	577.72	Calculated Property
η	0.0001390	Pa×s	602.62	Calculated Property
η	0.0001176	Pa×s	627.51	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Benzenetriol, triacetate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.