Substance
- Substance Name: 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone
- Formula: C14H18N2O5
- Molecular Weight: 294.30 g/mol
- Identifiers:
- inchi: InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
- inchikey: WXCMHFPAUCOJIG-UHFFFAOYSA-N
- casrn: 81-14-1
- csmiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
- ismiles: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
- pubchemId: 6669
- iupacname: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
- wikidataId: Q1948992
- chemspiderId: 6417
- dsstoxcmpId: DTXCID405690
- chemblId: CHEMBL1877463
- ecnumber: 201-328-9
3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone
Systems and Datasets
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.9b00310 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 2 in paper 10.1021/acs.jced.9b00310 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + methanol (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.9b00310 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + ethanol (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.9b00310 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + butan-1-ol (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.9b00310 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + ethyl acetate (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.9b00310 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + ethanol + methanol (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.9b00310 (Dataseries: 7, Datapoints: 63, Quantity: Mole fraction)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + ethyl acetate + ethanol (Datasets: 1)
- Dataset 8 in paper 10.1021/acs.jced.9b00310 (Dataseries: 7, Datapoints: 63, Quantity: Mole fraction)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + ethyl acetate + butan-1-ol (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.9b00310 (Dataseries: 7, Datapoints: 63, Quantity: Mole fraction)
- 3',5'-dinitro-2',6'-dimethyl-4'-tert-butylacetophenone + water (Datasets: 1)
- Dataset 20 in paper 10.1021/je300954s (Dataseries: 1, Datapoints: 1, Quantity: Henry's Law constant (amount concentration scale))