Chemical Properties of 2,4,6-Trihydroxybenzaldehyde

InChI

InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H

InChI Key

BTQAJGSMXCDDAJ-UHFFFAOYSA-N

Formula

C7H6O4

SMILES

O=Cc1c(O)cc(O)cc1O

Molecular Weight¹

154.12

Other Names

• Phloroglucinol aldehyde
• Phloroglucinaldehyde
• Benzaldehyde, 2,4,6-trihydroxy-
• Formylphloroglucinol

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[152.30; 319.98]	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			-5.27400e+01
Coefficient B			1.02820e+00
Coefficient C			-1.15028e-03
Coefficient D			4.94800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.30	J/mol×K	273.00	Calculated Property
Cp,gas	188.96	J/mol×K	353.78	Calculated Property
Cp,gas	217.46	J/mol×K	434.56	Calculated Property
Cp,gas	239.36	J/mol×K	515.33	Calculated Property
Cp,gas	256.24	J/mol×K	596.11	Calculated Property
Cp,gas	269.66	J/mol×K	676.89	Calculated Property
Cp,gas	281.18	J/mol×K	757.67	Calculated Property
Cp,gas	292.36	J/mol×K	838.44	Calculated Property
Cp,gas	304.77	J/mol×K	919.22	Calculated Property
Cp,gas	319.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000045; 0.0000007]	Pa×s	[572.23; 651.46]	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			-2.75753e+01
Coefficient B			8.73395e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			572.23
Temperature range, max.			651.46
η	0.0000045	Pa×s	572.23	Calculated Property
η	0.0000036	Pa×s	581.03	Calculated Property
η	0.0000029	Pa×s	589.84	Calculated Property
η	0.0000023	Pa×s	598.64	Calculated Property
η	0.0000019	Pa×s	607.44	Calculated Property
η	0.0000015	Pa×s	616.24	Calculated Property
η	0.0000012	Pa×s	625.05	Calculated Property
η	0.0000010	Pa×s	633.85	Calculated Property
η	0.0000008	Pa×s	642.65	Calculated Property
η	0.0000007	Pa×s	651.46	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trihydroxybenzaldehyde.

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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