Chemical Properties of Tetryl (CAS 479-45-8)

InChI

InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3

InChI Key

AGUIVNYEYSCPNI-UHFFFAOYSA-N

Formula

C7H5N5O8

SMILES

CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]

Molecular Weight¹

287.14

CAS

479-45-8

Other Names

• 2,4,6-(Trinitrophenyl)methylnitramine
• 2,4,6-(Trinitrophenyl)methylnitroamine
• 2,4,6-Tetryl
• 2,4,6-trinitrophenyl-N-methylnitramine
• Benzenamine, N-methyl-N,2,4,6-tetranitro-
• CE
• N-Methyl-N,2,4,6-tetranitroaniline (tetryl)
• N-Methyl-N,2,4,6-tetranitrobenzenamine
• N-Methyl-N-picrylnitramine
• N-Picryl-N-methylnitramine
• N-methyl-N,2,4,6-tetranitroaniline
• N-methyl-N-2,4,6-tetranitrobenzenamine
• NSC 2166
• Nitramine (indicator)
• Picrylmethylnitramine
• Picrylnitromethylamine
• TETRYL (N-methyl-N,2,4,6-tetranitroaniline)
• Tetralit
• Tetralite
• Tetril
• UN 0208
• aniline, N-methyl-N,2,4,6-tetranitro-
• nitramine

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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	[-3537.00; -3481.50]	kJ/mol
ΔcH°solid	-3510.00 ± 4.60	kJ/mol	NIST
ΔcH°solid	-3501.00	kJ/mol	NIST
ΔcH°solid	-3481.50 ± 2.10	kJ/mol	NIST
ΔcH°solid	-3495.40 ± 3.50	kJ/mol	NIST
ΔcH°solid	-3499.86	kJ/mol	NIST
ΔcH°solid	-3537.00	kJ/mol	NIST
ΔfG°	344.56	kJ/mol	Joback Calculated Property
ΔfH°gas	38.80	kJ/mol	Joback Calculated Property
ΔfH°solid	[30.70; 41.00]	kJ/mol
ΔfH°solid	41.00 ± 4.60	kJ/mol	NIST
ΔfH°solid	30.70	kJ/mol	NIST
ΔfusH°	55.23	kJ/mol	Joback Calculated Property
ΔsubH°	133.80 ± 1.60	kJ/mol	NIST
ΔvapH°	103.84	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	1.039		Crippen Calculated Property
McVol	165.390	ml/mol	McGowan Calculated Property
Pc	4119.70	kPa	Joback Calculated Property
Inp	[2100.00; 2113.00]
Inp	2100.00		NIST
Inp	2100.00		NIST
Inp	2113.00		NIST
Inp	2100.00		NIST
Tboil	1020.98	K	Joback Calculated Property
Tc	1316.45	K	Joback Calculated Property
Tfus	[400.50; 402.60]	K
Tfus	402.60 ± 0.10	K	NIST
Tfus	400.50 ± 0.50	K	NIST
Vc	0.665	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.30; 500.15]	J/mol×K	[1020.98; 1316.45]
T(K) Ideal gas heat capacity (J/mol×K) 480 485 490 495 500 1100 1200 1300
Cp,gas	478.30	J/mol×K	1020.98	Joback Calculated Property
Cp,gas	483.61	J/mol×K	1070.22	Joback Calculated Property
Cp,gas	488.13	J/mol×K	1119.47	Joback Calculated Property
Cp,gas	491.93	J/mol×K	1168.71	Joback Calculated Property
Cp,gas	495.14	J/mol×K	1217.96	Joback Calculated Property
Cp,gas	497.84	J/mol×K	1267.20	Joback Calculated Property
Cp,gas	500.15	J/mol×K	1316.45	Joback Calculated Property
Cp,solid	[233.16; 302.10]	J/mol×K	[270.00; 320.00]
T(K) Solid phase heat capacity (J/mol×K) 230 240 250 260 270 280 290 300 280 300 320
Cp,solid	233.16	J/mol×K	270.00	Thermal...
Cp,solid	247.80	J/mol×K	290.00	Thermal...
Cp,solid	260.70	J/mol×K	293.00	NIST
Cp,solid	290.90	J/mol×K	298.00	NIST
Cp,solid	302.10	J/mol×K	298.00	NIST
Cp,solid	278.24	J/mol×K	320.00	Thermal...
ΔfusH	[22.93; 25.86]	kJ/mol	[400.50; 402.60]
ΔfusH	25.86	kJ/mol	400.50	NIST
ΔfusH	25.86	kJ/mol	402.60	NIST
ΔfusH	22.93	kJ/mol	402.60	NIST
ΔfusS	57.00	J/mol×K	402.60	NIST

Similar Compounds

Find more compounds similar to Tetryl.

Sources

• Crippen Method
• Crippen Method
• Thermal conductivity of Tetryl by modulated differential scanning calorimetry
• Joback Method
• McGowan Method
• NIST Webbook

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