Chemical Properties of 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)- (CAS 29091-21-2)

InChI

InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3

InChI Key

RSVPPPHXAASNOL-UHFFFAOYSA-N

Formula

C13H17F3N4O4

SMILES

CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]

Molecular Weight¹

350.29

CAS

29091-21-2

Other Names

• Toluene-2,4-diamine, «alpha»,«alpha»,«alpha»-trifluoro-3,5-dinitro-N4,N4-dipropyl-
• 1,3-Diamino-N(sup1),N(sup1)-dipropyl-2,6-dinitro-4-(trifluoromethyl)benzene
• m-Phenylenediamine, 2,4-dinitro-N

• C_p,gas : Ideal gas 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).
• 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.
• 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
ΔfG°	-200.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-638.28	kJ/mol	Joback Calculated Property
ΔfusH°	54.68	kJ/mol	Joback Calculated Property
ΔvapH°	91.58	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	3.730		Crippen Calculated Property
McVol	230.380	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[1941.00; 1952.00]
Inp	1941.00		NIST
Inp	1952.00		NIST
Inp	1952.00		NIST
Inp	1941.00		NIST
Tboil	926.67	K	Joback Calculated Property
Tc	1158.62	K	Joback Calculated Property
Tfus	719.91	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[729.06; 782.30]	J/mol×K	[926.67; 1158.62]
Cp,gas	729.06	J/mol×K	926.67	Joback Calculated Property
Cp,gas	739.65	J/mol×K	965.33	Joback Calculated Property
Cp,gas	749.44	J/mol×K	1003.99	Joback Calculated Property
Cp,gas	758.51	J/mol×K	1042.65	Joback Calculated Property
Cp,gas	766.96	J/mol×K	1081.31	Joback Calculated Property
Cp,gas	774.86	J/mol×K	1119.97	Joback Calculated Property
Cp,gas	782.30	J/mol×K	1158.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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