Chemical Properties of 4-nitrophthalic acid

InChI

InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChI Key

SLBQXWXKPNIVSQ-UHFFFAOYSA-N

Formula

C8H5NO6

SMILES

O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)O

Molecular Weight¹

211.13

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• ρ_s : Solid Density (kg/m³).
• 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	0.9554		Relay (1.0) Calculated Property
ΔfG°	-386.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-618.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.00	kJ/mol	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
ΔvapH°	118.10	kJ/mol	Relay (1.0) Calculated Property
IE	10.46	eV	Relay (1.0) Calculated Property
log10WS	-1.99		Relay (1.0) Calculated Property
logPoct/wat	0.991		Crippen Calculated Property
McVol	132.120	ml/mol	McGowan Calculated Property
Pc	5382.80	kPa	Joback Calculated Property
Tboil	561.21	K	Relay (1.0) Calculated Property
Tc	913.85	K	Relay (1.0) Calculated Property
Tfus	[432.82; 440.00]	K
Tfus	440.00	K	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Tfus	432.82	K	Research on the application of 7-chloro-quinaldine adducts in 7-chloro-quinaldine separation process
Vc	0.464	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.06; 376.40]	J/mol×K	[863.02; 1085.33]
Cp,gas	352.06	J/mol×K	863.02	Joback Calculated Property
Cp,gas	357.35	J/mol×K	900.07	Joback Calculated Property
Cp,gas	362.11	J/mol×K	937.12	Joback Calculated Property
Cp,gas	366.37	J/mol×K	974.18	Joback Calculated Property
Cp,gas	370.16	J/mol×K	1011.23	Joback Calculated Property
Cp,gas	373.49	J/mol×K	1048.28	Joback Calculated Property
Cp,gas	376.40	J/mol×K	1085.33	Joback Calculated Property
Cp,solid	[229.53; 290.33]	J/mol×K	[295.15; 395.15]
Cp,solid	229.53	J/mol×K	295.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	230.90	J/mol×K	296.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	232.06	J/mol×K	297.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	233.01	J/mol×K	298.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	233.22	J/mol×K	299.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	234.59	J/mol×K	300.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	236.28	J/mol×K	301.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	237.02	J/mol×K	302.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	237.97	J/mol×K	303.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	239.13	J/mol×K	304.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	239.66	J/mol×K	305.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	240.19	J/mol×K	306.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	240.50	J/mol×K	307.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	240.61	J/mol×K	308.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	240.93	J/mol×K	309.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	242.51	J/mol×K	310.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	241.24	J/mol×K	311.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	242.62	J/mol×K	312.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	243.57	J/mol×K	313.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	244.09	J/mol×K	314.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	244.83	J/mol×K	315.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	245.36	J/mol×K	316.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	246.10	J/mol×K	317.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	246.20	J/mol×K	318.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	246.94	J/mol×K	319.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	248.00	J/mol×K	320.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	248.74	J/mol×K	321.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	249.37	J/mol×K	322.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	250.22	J/mol×K	323.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	250.95	J/mol×K	324.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	251.69	J/mol×K	325.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	252.22	J/mol×K	326.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	252.64	J/mol×K	327.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	253.38	J/mol×K	328.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	254.02	J/mol×K	329.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	254.54	J/mol×K	330.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	255.07	J/mol×K	331.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	255.71	J/mol×K	332.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	256.23	J/mol×K	333.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	256.76	J/mol×K	334.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	257.50	J/mol×K	335.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	258.34	J/mol×K	336.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	256.97	J/mol×K	337.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	258.45	J/mol×K	338.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	258.98	J/mol×K	339.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	259.40	J/mol×K	340.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	259.93	J/mol×K	341.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	260.67	J/mol×K	342.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	261.41	J/mol×K	343.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	261.72	J/mol×K	344.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	262.25	J/mol×K	345.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	262.78	J/mol×K	346.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	263.52	J/mol×K	347.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	263.94	J/mol×K	348.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	264.47	J/mol×K	349.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	264.99	J/mol×K	350.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	265.42	J/mol×K	351.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	266.05	J/mol×K	352.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	266.26	J/mol×K	353.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	266.79	J/mol×K	354.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	267.32	J/mol×K	355.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	267.74	J/mol×K	356.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	267.95	J/mol×K	357.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	268.58	J/mol×K	358.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	268.90	J/mol×K	359.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	269.64	J/mol×K	360.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	269.85	J/mol×K	361.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	270.27	J/mol×K	362.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	270.59	J/mol×K	363.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	271.12	J/mol×K	364.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	271.86	J/mol×K	365.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	272.17	J/mol×K	366.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	272.81	J/mol×K	367.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	273.23	J/mol×K	368.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	274.07	J/mol×K	369.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	274.39	J/mol×K	370.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	275.02	J/mol×K	371.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	275.23	J/mol×K	372.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	275.66	J/mol×K	373.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	276.29	J/mol×K	374.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	276.61	J/mol×K	375.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	277.03	J/mol×K	376.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	277.56	J/mol×K	377.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	278.51	J/mol×K	378.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	279.03	J/mol×K	379.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	279.56	J/mol×K	380.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	280.30	J/mol×K	381.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	280.83	J/mol×K	382.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	281.57	J/mol×K	383.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	282.10	J/mol×K	384.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	282.84	J/mol×K	385.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	283.26	J/mol×K	386.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	284.21	J/mol×K	387.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	284.95	J/mol×K	388.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	285.37	J/mol×K	389.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	286.64	J/mol×K	390.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	287.48	J/mol×K	391.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	288.22	J/mol×K	392.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	288.32	J/mol×K	393.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	289.27	J/mol×K	394.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
Cp,solid	290.33	J/mol×K	395.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
ΔvapH	114.10	kJ/mol	422.00	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
ρs	1647.00	kg/m3	298.15	Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids

Similar Compounds

Find more compounds similar to 4-nitrophthalic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
• Research on the application of 7-chloro-quinaldine adducts in 7-chloro-quinaldine separation process
• Joback Method
• McGowan Method

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