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,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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).
• λ : Gas thermal conductivity (W/m×K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1603		ChemSep v8.3 pure component data
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
μ	2.60	debye	ChemSep v8.3 pure component data
ΔfG°	-542.00	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	-663.00	kJ/mol	ChemSep v8.3 pure component data
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	ChemSep v8.3 pure component data
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	651.42	K	ChemSep v8.3 pure component data
Tc	943.06	K	ChemSep v8.3 pure component data
Tfus	[480.00; 483.15]	K
Tfus	483.15	K	ChemSep v8.3 pure component data
Tfus	480.00 ± 3.00	K	NIST
Tfus	480.00 ± 3.00	K	NIST
UQi	4.29		ChemSep v8.3 pure component data
URi	5.46		ChemSep v8.3 pure component data
Vc	0.423	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2426270		ChemSep v8.3 pure component data
Zra	0.25		ChemSep v8.3 pure component data

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
ΔfusH	36.50	kJ/mol	463.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.93; 344.68]	J/mol×K	[273.00; 1500.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.89720e+01
Coefficient B			-8.14120e+02
Coefficient C			6.71324e+00
Coefficient D			-5.79090e-04
Coefficient E			1.24690e-07
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			273.00
Temperature range, max.			1500.00
Cp,gas	114.93	J/mol×K	273.00	Calculated Property
Cp,gas	169.73	J/mol×K	409.33	Calculated Property
Cp,gas	219.08	J/mol×K	545.67	Calculated Property
Cp,gas	257.11	J/mol×K	682.00	Calculated Property
Cp,gas	285.00	J/mol×K	818.33	Calculated Property
Cp,gas	305.14	J/mol×K	954.67	Calculated Property
Cp,gas	319.70	J/mol×K	1091.00	Calculated Property
Cp,gas	330.36	J/mol×K	1227.33	Calculated Property
Cp,gas	338.39	J/mol×K	1363.67	Calculated Property
Cp,gas	344.68	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[290.33; 359.56]	J/mol×K	[464.15; 600.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.26080e+02
Coefficient B			7.39550e+01
Coefficient C			2.51444e+00
Coefficient D			7.06820e-03
Coefficient E			-3.95980e-06
Comment			ChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.			464.15
Temperature range, max.			600.00
Cp,liquid	290.33	J/mol×K	464.15	Calculated Property
Cp,liquid	297.94	J/mol×K	479.24	Calculated Property
Cp,liquid	305.63	J/mol×K	494.34	Calculated Property
Cp,liquid	313.38	J/mol×K	509.43	Calculated Property
Cp,liquid	321.17	J/mol×K	524.53	Calculated Property
Cp,liquid	328.95	J/mol×K	539.62	Calculated Property
Cp,liquid	336.72	J/mol×K	554.72	Calculated Property
Cp,liquid	344.43	J/mol×K	569.81	Calculated Property
Cp,liquid	352.05	J/mol×K	584.91	Calculated Property
Cp,liquid	359.56	J/mol×K	600.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019590; 0.0001880]	Pa×s	[464.15; 651.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.03150e+01
Coefficient B			4.08940e+03
Coefficient C			8.76990e-01
Coefficient D			-5.37130e-07
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			464.15
Temperature range, max.			651.00
η	0.0019590	Pa×s	464.15	Calculated Property
η	0.0013813	Pa×s	484.91	Calculated Property
η	0.0010025	Pa×s	505.67	Calculated Property
η	0.0007463	Pa×s	526.43	Calculated Property
η	0.0005681	Pa×s	547.19	Calculated Property
η	0.0004411	Pa×s	567.96	Calculated Property
η	0.0003486	Pa×s	588.72	Calculated Property
η	0.0002799	Pa×s	609.48	Calculated Property
η	0.0002279	Pa×s	630.24	Calculated Property
η	0.0001880	Pa×s	651.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[89.77; 35.97]	kJ/mol	[464.15; 800.00]	ChemSep v8.3 pure component data
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.16446e+02
Coefficient B			3.25842e-01
Coefficient C			-2.33021e-04
Coefficient D			2.16992e-03
Coefficient E			4.84323e-01
Critical temperature, Tc (K)			9.43065e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			464.15
Temperature range, max.			800.00
ΔvapH	89.77	kJ/mol	464.15	Calculated Property
ΔvapH	86.02	kJ/mol	501.47	Calculated Property
ΔvapH	81.81	kJ/mol	538.78	Calculated Property
ΔvapH	77.09	kJ/mol	576.10	Calculated Property
ΔvapH	71.81	kJ/mol	613.42	Calculated Property
ΔvapH	65.92	kJ/mol	650.73	Calculated Property
ΔvapH	59.38	kJ/mol	688.05	Calculated Property
ΔvapH	52.20	kJ/mol	725.37	Calculated Property
ΔvapH	44.38	kJ/mol	762.68	Calculated Property
ΔvapH	35.97	kJ/mol	800.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.78; 3927.46]	kPa	[464.15; 800.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			2.07711e+02
Coefficient B			-2.16787e+04
Coefficient C			-2.65414e+01
Coefficient D			7.94063e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, VaporPressure
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	17.33	kPa	538.78	Calculated Property
Pvap	55.24	kPa	576.10	Calculated Property
Pvap	146.59	kPa	613.42	Calculated Property
Pvap	337.46	kPa	650.73	Calculated Property
Pvap	695.74	kPa	688.05	Calculated Property
Pvap	1316.73	kPa	725.37	Calculated Property
Pvap	2332.45	kPa	762.68	Calculated Property
Pvap	3927.46	kPa	800.00	Calculated Property
Pvap	[0.78; 3924.44]	kPa	[464.15; 800.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.08639e+02
Coefficient B			-2.17466e+04
Coefficient C			-2.66695e+01
Coefficient D			7.96015e-06
Coefficient E			0.00000e+00
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

Property	Value	Unit	Temperature (K)	Source
ρl	[1147.78; 391.50]	kg/m3	[464.15; 800.00]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			9.86568e+01
Coefficient B			2.52000e-01
Coefficient C			8.00000e+02
Coefficient D			2.85710e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			464.15
Temperature range, max.			800.00
ρl	1147.78	kg/m3	464.15	Calculated Property
ρl	1107.64	kg/m3	501.47	Calculated Property
ρl	1065.35	kg/m3	538.78	Calculated Property
ρl	1020.38	kg/m3	576.10	Calculated Property
ρl	971.95	kg/m3	613.42	Calculated Property
ρl	918.86	kg/m3	650.73	Calculated Property
ρl	859.04	kg/m3	688.05	Calculated Property
ρl	788.28	kg/m3	725.37	Calculated Property
ρl	695.14	kg/m3	762.68	Calculated Property
ρl	391.50	kg/m3	800.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.03]	N/m	[464.15; 800.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-3.55410e-02
Coefficient B			-4.54850e+00
Coefficient C			-2.21510e+00
Coefficient D			-5.31780e-04
Coefficient E			-1.94360e-07
Comment			ChemSep eq 16, SurfaceTension
Temperature range, min.			464.15
Temperature range, max.			800.00
γ	0.05	N/m	464.15	Calculated Property
γ	0.04	N/m	501.47	Calculated Property
γ	0.04	N/m	538.78	Calculated Property
γ	0.04	N/m	576.10	Calculated Property
γ	0.04	N/m	613.42	Calculated Property
γ	0.04	N/m	650.73	Calculated Property
γ	0.03	N/m	688.05	Calculated Property
γ	0.03	N/m	725.37	Calculated Property
γ	0.03	N/m	762.68	Calculated Property
γ	0.03	N/m	800.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.00; 0.04]	W/m×K	[274.00; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			1.15760e-04
Coefficient B			9.10530e-01
Coefficient C			3.51240e+02
Coefficient D			1.30660e+05
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			274.00
Temperature range, max.			1000.00
λ	0.00	W/m×K	274.00	Calculated Property
λ	0.01	W/m×K	354.67	Calculated Property
λ	0.01	W/m×K	435.33	Calculated Property
λ	0.02	W/m×K	516.00	Calculated Property
λ	0.02	W/m×K	596.67	Calculated Property
λ	0.02	W/m×K	677.33	Calculated Property
λ	0.03	W/m×K	758.00	Calculated Property
λ	0.03	W/m×K	838.67	Calculated Property
λ	0.04	W/m×K	919.33	Calculated Property
λ	0.04	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.19; 0.10]	W/m×K	[240.00; 640.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K
Coefficient A			-1.30070e-01
Coefficient B			4.02610e+01
Coefficient C			-1.33140e+00
Coefficient D			2.79820e-04
Coefficient E			-9.43090e-07
Comment			ChemSep eq 16, LiquidThermalConductivity
Temperature range, min.			240.00
Temperature range, max.			640.00
λ	0.19	W/m×K	240.00	Calculated Property
λ	0.18	W/m×K	284.44	Calculated Property
λ	0.17	W/m×K	328.89	Calculated Property
λ	0.16	W/m×K	373.33	Calculated Property
λ	0.15	W/m×K	417.78	Calculated Property
λ	0.14	W/m×K	462.22	Calculated Property
λ	0.13	W/m×K	506.67	Calculated Property
λ	0.12	W/m×K	551.11	Calculated Property
λ	0.11	W/m×K	595.56	Calculated Property
λ	0.10	W/m×K	640.00	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)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• 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

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.