Chemical Properties of 1,2-Benzenedicarboxylic acid (CAS 88-99-3)

InChI

InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChI Key

XNGIFLGASWRNHJ-UHFFFAOYSA-N

Formula

C8H6O4

SMILES

O=C(O)c1ccccc1C(=O)O

Molecular Weight¹

166.13

CAS

88-99-3

Other Names

• 1,2-benzenedioic acid
• Acide phtalique
• Benzene-1,2-dicarboxylic acid
• Kyselina ftalova
• Orthophthalic acid
• Sunftal 20
• o-Dicarboxybenzene
• o-benzenedicarboxylic acid
• o-phthalic acid
• phenazopyridine
• phthalic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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	0.8452		Relay (1.0) Calculated Property
ΔcH°solid	[-3229.96; -3223.50]	kJ/mol
ΔcH°solid	-3223.50 ± 0.50	kJ/mol	NIST
ΔcH°solid	-3223.70	kJ/mol	NIST
ΔcH°solid	-3229.96	kJ/mol	NIST
ΔfG°	-568.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-636.40	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-782.12; -781.91]	kJ/mol
ΔfH°solid	-782.12	kJ/mol	NIST
ΔfH°solid	-781.91	kJ/mol	NIST
ΔfusH°	30.41	kJ/mol	Joback Calculated Property
ΔsubH°	129.80 ± 0.60	kJ/mol	NIST
ΔvapH°	106.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Aq. Solubility Prediction
logPoct/wat	1.083		Crippen Calculated Property
McVol	114.700	ml/mol	McGowan Calculated Property
Pc	4492.23	kPa	Joback Calculated Property
Inp	[225.33; 1643.00]
Inp	1643.00		NIST
Inp	225.33		NIST
Inp	225.33		NIST
S°solid,1 bar	207.94	J/mol×K	NIST
Tboil	551.67	K	Relay (1.0) Calculated Property
Tc	841.35	K	Relay (1.0) Calculated Property
Tfus	[480.00; 480.00]	K
Tfus	480.00 ± 3.00	K	NIST
Tfus	480.00 ± 3.00	K	NIST
Vc	0.418	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.25; 325.63]	J/mol×K	[705.32; 943.33]
Cp,gas	288.25	J/mol×K	705.32	Joback Calculated Property
Cp,gas	295.93	J/mol×K	744.99	Joback Calculated Property
Cp,gas	302.96	J/mol×K	784.66	Joback Calculated Property
Cp,gas	309.39	J/mol×K	824.33	Joback Calculated Property
Cp,gas	315.28	J/mol×K	863.99	Joback Calculated Property
Cp,gas	320.67	J/mol×K	903.66	Joback Calculated Property
Cp,gas	325.63	J/mol×K	943.33	Joback Calculated Property
Cp,solid	[188.11; 201.70]	J/mol×K	[298.10; 323.00]
Cp,solid	188.11	J/mol×K	298.10	NIST
Cp,solid	201.70	J/mol×K	323.00	NIST
Cp,solid	201.70	J/mol×K	323.00	NIST
η	[0.0001905; 0.0005844]	Pa×s	[540.06; 705.32]
η	0.0005844	Pa×s	540.06	Joback Calculated Property
η	0.0004633	Pa×s	567.60	Joback Calculated Property
η	0.0003753	Pa×s	595.15	Joback Calculated Property
η	0.0003097	Pa×s	622.69	Joback Calculated Property
η	0.0002598	Pa×s	650.23	Joback Calculated Property
η	0.0002211	Pa×s	677.78	Joback Calculated Property
η	0.0001905	Pa×s	705.32	Joback Calculated Property
ΔfusH	36.50	kJ/mol	463.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.78; 3924.44]	kPa	[464.15; 800.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.08639e+02
Coefficient B			-2.17466e+04
Coefficient C			-2.66695e+01
Coefficient D			7.96015e-06
Temperature range, min.			464.15
Temperature range, max.			800.00
Pvap	0.78	kPa	464.15	Calculated Property
Pvap	4.29	kPa	501.47	Calculated Property
Pvap	17.37	kPa	538.78	Calculated Property
Pvap	55.37	kPa	576.10	Calculated Property
Pvap	146.93	kPa	613.42	Calculated Property
Pvap	338.14	kPa	650.73	Calculated Property
Pvap	696.78	kPa	688.05	Calculated Property
Pvap	1317.82	kPa	725.37	Calculated Property
Pvap	2332.59	kPa	762.68	Calculated Property
Pvap	3924.44	kPa	800.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenedicarboxylic acid.

Mixtures

• Carbon dioxide + 1,2-Benzenedicarboxylic acid
• Carbon dioxide + 1,2-Benzenedicarboxylic acid + 4-aminobenzoic acid
• 1,2-Benzenedicarboxylic acid + Water
• 1,2-Benzenedicarboxylic acid + Methyl Alcohol
• 1,2-Benzenedicarboxylic acid + Acetic acid, butyl ester
• 1,2-Benzenedicarboxylic acid + Methyl Alcohol + Water
• 1,2-Benzenedicarboxylic acid + Acetic acid, butyl ester + Methyl Alcohol
• 2-Pyrrolidinone, 1-methyl- + 1,2-Benzenedicarboxylic acid + Terephthalic acid
• 1,3-Benzenedicarboxylic acid + 2-Pyrrolidinone, 1-methyl- + 1,2-Benzenedicarboxylic acid
• 2-Pyrrolidinone, 1-methyl- + 1,2-Benzenedicarboxylic acid
• 1,2-Benzenedicarboxylic acid + Acetic acid + Water
• 1,2-Benzenedicarboxylic acid + Acetic acid + o-Xylene
• 1,2-Benzenedicarboxylic acid + Acetic acid
• Acetic acid, 2-methylpropyl ester + 1,2-Benzenedicarboxylic acid
• 1,2-Benzenedicarboxylic acid + Ethanaminium, N,N,N-triethyl-, iodide + Water
• 1,2-Benzenedicarboxylic acid + TETRAMETHYLAMMONIUM CHLORIDE + Water
• sodium chloride + 1,2-Benzenedicarboxylic acid + Water
• 1,2-Benzenedicarboxylic acid + Tetrahydrofuran
• 1,2-Benzenedicarboxylic acid + Cyclohexanone
• Ethane, 1,2-diethoxy- + 1,2-Benzenedicarboxylic acid

Find more mixtures with 1,2-Benzenedicarboxylic acid.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Solubility of mixed solids in supercritical carbon dioxide
• Liquid-liquid equilibrium (LLE) data for ternary mixtures of [C4DMIM] [PF6]+[PCP]+[water] and [C4DMIM] [PF6]+[PA]+[water] at T = 298.15 K and p = 1 atm
• Thermochemistry of Cs(hydrogen phthalate) and Cs2(terephthalate)
• Solubilities of Phthalic Acid and o-Toluic Acid in Binary Acetic Acid + Water and Acetic Acid + o-Xylene Solvent Mixtures
• Solubility and Activity Coefficients of Acidic and Basic Nonelectrolytes in Aqueous Salt Solutions. 1. Solubility and Activity Coefficients of o-Phthalic Acid and L-Cystine in NaCl(aq), (CH3)4NCl(aq), and (C2H5)4NI(aq) at Different Ionic Strengths and at t ) 25 deg C
• Solubility of o-Phthalic Acid in Methanol + Water and Methanol + Butyl Acetate from (295.87 to 359.75) K
• Solubilities of Benzene Carboxylic Acids in Isobutyl Acetate from (299.73 to 353.15) K
• Phase Equilibrium and Phase Diagram for the System of Benzene Dicarboxylic Acid + N-Methyl-2-pyrrolidone
• Solubilities of Benzoic Acid and Phthalic Acid in Acetic Acid + Water Solvent Mixtures
• Solubilities of Terephthalic Acid, Phthalic Acid, and Isophthalic Acid in Tetrahydrofuran, Cyclohexanone, 1,2-Diethoxyethane, and Acetophenone
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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