Chemical Properties of Dinitramine (CAS 29091-05-2)

InChI

InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3

InChI Key

OFDYMSKSGFSLLM-UHFFFAOYSA-N

Formula

SMILES

CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]

Molecular Weight¹

322.24

CAS

29091-05-2

Other Names

1,3-Benzenediamine, N1,N1-diethyl-2,6-dinitro-4-(trifluoromethyl)-
1,3-Benzenediamine, N3,N3-diethyl-2,4-dinitro-6-(trifluoromethyl)-
3-Diethylamino-2,4-dinitro-6-trifluoromethylaniline
Cobex
Cobex (herbicide)
Cobexo
N3,N3-Diethyl-2,4-dinitro-6-(trifluoromethyl)-1,3-benzenediamine
N3,N3-Diethyl-2,4-dinitro-6-(trifluoromethyl)-1,3-phenylenediamine
N4,N4-Diethyl-«alpha»,«alpha»,«alpha»-trifluoro-3,5-dinitrotoluene, 2,4-diamine
N4,N4-Diethyl-Â«alphaÂ»,Â«alphaÂ»,Â«alphaÂ»-trifluoro-3,5-dinitrotoluene, 2,4-diamine
Nitramine
Toluene-2,4-diamine, N4,N4-diethyl-3,5-dinitro-«alpha»,«alpha»,«alpha»-trifluoro-
Toluene-2,4-diamine, N4,N4-diethyl-3,5-dinitro-Â«alphaÂ»,Â«alphaÂ»,Â«alphaÂ»-trifluoro-
Toluene-2,4-diamine, N4,N4-diethyl-«alpha»,«alpha»,«alpha»-trifluoro-3,5-dinitro-
Toluene-2,4-diamine, N4,N4-diethyl-Â«alphaÂ»,Â«alphaÂ»,Â«alphaÂ»-trifluoro-3,5-dinitro-
USB 3584

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_fusH : Enthalpy of fusion at a given temperature (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).
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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
Δ_fG°	-217.63	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-597.00	kJ/mol	Joback Calculated Property
Δ_fusH°	49.50	kJ/mol	Joback Calculated Property
Δ_vapH°	87.12	kJ/mol	Joback Calculated Property
log₁₀WS	[-5.47; -3.56]
log₁₀WS	-5.47		Aq. Sol...
log₁₀WS	-3.56		Estimat...
logP_oct/wat	2.950		Crippen Calculated Property
McVol	202.200	ml/mol	McGowan Calculated Property
P_c	2402.92	kPa	Joback Calculated Property
T_boil	880.91	K	Joback Calculated Property
T_c	1117.18	K	Joback Calculated Property
T_fus	697.37	K	Joback Calculated Property
V_c	0.797	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[617.99; 666.46]	J/mol×K	[880.91; 1117.18]

C_p,gas	617.99	J/mol×K	880.91	Joback Calculated Property
C_p,gas	627.79	J/mol×K	920.29	Joback Calculated Property
C_p,gas	636.80	J/mol×K	959.67	Joback Calculated Property
C_p,gas	645.09	J/mol×K	999.04	Joback Calculated Property
C_p,gas	652.74	J/mol×K	1038.42	Joback Calculated Property
C_p,gas	659.84	J/mol×K	1077.80	Joback Calculated Property
C_p,gas	666.46	J/mol×K	1117.18	Joback Calculated Property
Δ_fusH	29.13	kJ/mol	372.10	NIST

Similar Compounds

Find more compounds similar to Dinitramine.

Sources

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.