Chemical Properties of Picric acid (CAS 88-89-1)

InChI

InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

InChI Key

OXNIZHLAWKMVMX-UHFFFAOYSA-N

Formula

C6H3N3O7

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

Molecular Weight¹

229.10

CAS

88-89-1

Other Names

• 1,3,5-Trinitrophenol
• 2,4,6-Trinitrofenol
• 2,4,6-Trinitrofenolo
• 2,4,6-Trinitrophenol
• 2,4,6-Trinitrophenyl
• 2-Hydroxy-1,3,5-trinitrobenzene
• Acide picrique
• Acido picrico
• C.I. 10305
• Carbazotic Acid
• Hager's reagent
• Kyselina pikrova
• Melinite
• NSC 36947
• Nitroxanthic acid
• Pertite
• Phenol trinitrate
• Phenol, 2,4,6-trinitro-
• Picral
• Picronitric acid
• Pikrinezuur
• Pikrinsaeure
• Pikrynowy kwas
• Reflorit
• TNP
• Trinitrophenol
• UN 0154
• picric acid (TNP)

• 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).
• 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).
• 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).
• Δ_fusS : Entropy of fusion at a given temperature (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
ΔcH°solid	[-2610.00; -2560.00]	kJ/mol
ΔcH°solid	-2571.90 ± 1.70	kJ/mol	NIST
ΔcH°solid	-2575.90 ± 1.30	kJ/mol	NIST
ΔcH°solid	-2560.00	kJ/mol	NIST
ΔcH°solid	-2569.10 ± 2.60	kJ/mol	NIST
ΔcH°solid	-2567.60 ± 2.60	kJ/mol	NIST
ΔcH°solid	-2578.60 ± 2.50	kJ/mol	NIST
ΔcH°solid	-2564.88	kJ/mol	NIST
ΔcH°solid	Outlier -2610.00	kJ/mol	NIST
ΔfG°	44.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-163.17	kJ/mol	Joback Calculated Property
ΔfH°solid	[-224.90; -214.00]	kJ/mol
ΔfH°solid	-217.90 ± 2.00	kJ/mol	NIST
ΔfH°solid	-214.00 ± 1.30	kJ/mol	NIST
ΔfH°solid	-224.90	kJ/mol	NIST
ΔfusH°	44.42	kJ/mol	Joback Calculated Property
ΔsubH°	105.10 ± 1.60	kJ/mol	NIST
ΔvapH°	95.34	kJ/mol	Joback Calculated Property
log10WS	-2.83		Aq. Sol...
logPoct/wat	1.117		Crippen Calculated Property
McVol	129.770	ml/mol	McGowan Calculated Property
Pc	5845.00	kPa	Joback Calculated Property
Tboil	909.46	K	Joback Calculated Property
Tc	1208.76	K	Joback Calculated Property
Tfus	[393.40; 395.60]	K
Tfus	395.40	K	Aq. Sol...
Tfus	395.15 ± 0.20	K	NIST
Tfus	395.60 ± 2.00	K	NIST
Tfus	394.10 ± 0.60	K	NIST
Tfus	394.95 ± 0.30	K	NIST
Tfus	395.00 ± 2.00	K	NIST
Tfus	393.40 ± 0.30	K	NIST
Vc	0.475	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.28; 394.59]	J/mol×K	[909.46; 1208.76]
Cp,gas	353.28	J/mol×K	909.46	Joback Calculated Property
Cp,gas	360.02	J/mol×K	959.34	Joback Calculated Property
Cp,gas	366.59	J/mol×K	1009.23	Joback Calculated Property
Cp,gas	373.16	J/mol×K	1059.11	Joback Calculated Property
Cp,gas	379.91	J/mol×K	1108.99	Joback Calculated Property
Cp,gas	386.99	J/mol×K	1158.88	Joback Calculated Property
Cp,gas	394.59	J/mol×K	1208.76	Joback Calculated Property
Cp,solid	239.70	J/mol×K	293.00	NIST
ΔfusH	[17.10; 17.10]	kJ/mol	[394.10; 394.10]
ΔfusH	17.10	kJ/mol	394.10	NIST
ΔfusH	17.10	kJ/mol	394.10	NIST
ΔfusH	17.10	kJ/mol	394.10	NIST
ΔvapH	[106.40; 106.40]	kJ/mol	[533.00; 533.00]
ΔvapH	106.40	kJ/mol	533.00	NIST
ΔvapH	106.40	kJ/mol	533.00	NIST
ΔfusS	43.40	J/mol×K	394.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.28; 105.60]	kPa	[468.15; 598.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.60634e+01
Coefficient B			-1.28024e+04
Coefficient C			-7.21084e-05
Coefficient D			4.74385e-11
Temperature range, min.			468.15
Temperature range, max.			598.15
Pvap	0.28	kPa	468.15	Calculated Property
Pvap	0.63	kPa	482.59	Calculated Property
Pvap	1.36	kPa	497.04	Calculated Property
Pvap	2.81	kPa	511.48	Calculated Property
Pvap	5.59	kPa	525.93	Calculated Property
Pvap	10.71	kPa	540.37	Calculated Property
Pvap	19.85	kPa	554.82	Calculated Property
Pvap	35.64	kPa	569.26	Calculated Property
Pvap	62.18	kPa	583.71	Calculated Property
Pvap	105.60	kPa	598.15	Calculated Property

Similar Compounds

Find more compounds similar to Picric acid.

Mixtures

• Methylene chloride + Picric acid + Water
• 1-Dodecanol + Picric acid + Water
• Toluene + Picric acid + Water
• Benzene + Picric acid + Water
• Dodecane + Picric acid + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Solvent Polarity Effect when Amberlite-LA2 Is Used in the Extraction of Picric Acid
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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