Chemical Properties of 1,2,3-BENZENETRICARBOXYLIC ACID

InChI

InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

InChI Key

UJMDYLWCYJJYMO-UHFFFAOYSA-N

Formula

C9H6O6

SMILES

O=C(O)c1cccc(C(=O)O)c1C(=O)O

Molecular Weight¹

210.14

Other Names

• Benzene-1,2,3-tricarboxylic acid
• Hemimellitic acid
• 1,2,3-Tricarboxybenzene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• P_c : Critical Pressure (kPa).
• 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
ω	1.0330		Relay (1.0) Calculated Property
ΔcH°solid	-3238.70 ± 0.84	kJ/mol	NIST
ΔfG°	-913.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-974.66	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-1160.40 ± 0.84	kJ/mol	NIST
ΔfusH°	42.76	kJ/mol	Joback Calculated Property
ΔvapH°	123.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-1.45		Relay (1.0) Calculated Property
logPoct/wat	0.781		Crippen Calculated Property
McVol	136.230	ml/mol	McGowan Calculated Property
Pc	4362.63	kPa	Joback Calculated Property
Tboil	565.81	K	Relay (1.0) Calculated Property
Tc	929.70	K	Relay (1.0) Calculated Property
Tfus	[372.00; 482.00]	K
Tfus	372.00 ± 3.00	K	NIST
Tfus	482.00 ± 2.00	K	NIST
Vc	0.499	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.03; 404.15]	J/mol×K	[878.69; 1119.02]
Cp,gas	375.03	J/mol×K	878.69	Joback Calculated Property
Cp,gas	380.90	J/mol×K	918.75	Joback Calculated Property
Cp,gas	386.29	J/mol×K	958.80	Joback Calculated Property
Cp,gas	391.24	J/mol×K	998.86	Joback Calculated Property
Cp,gas	395.83	J/mol×K	1038.91	Joback Calculated Property
Cp,gas	400.12	J/mol×K	1078.97	Joback Calculated Property
Cp,gas	404.15	J/mol×K	1119.02	Joback Calculated Property
η	[0.0001124; 0.0002558]	Pa×s	[724.45; 878.69]
η	0.0002558	Pa×s	724.45	Joback Calculated Property
η	0.0002179	Pa×s	750.16	Joback Calculated Property
η	0.0001875	Pa×s	775.86	Joback Calculated Property
η	0.0001630	Pa×s	801.57	Joback Calculated Property
η	0.0001429	Pa×s	827.28	Joback Calculated Property
η	0.0001262	Pa×s	852.98	Joback Calculated Property
η	0.0001124	Pa×s	878.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3-BENZENETRICARBOXYLIC ACID.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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