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CAS No.: | 1834-30-6 |
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Name: | iron(3+) acetate |
Article Data: | 52 |
Molecular Structure: | |
Formula: | C2H4O2.1/3Fe |
Molecular Weight: | 173.936 |
Synonyms: | Aceticacid, iron(3+) salt (8CI,9CI);Ferric acetate;Iron triacetate;Iron(3+) triacetate;Iron acetate;AC1L4VO7;Acetic acid, iron(3+) salt;AR-1J0754; |
EINECS: | 217-396-8 |
Boiling Point: | 117.1 °C at 760 mmHg |
Flash Point: | 40 °C |
PSA: | 120.39000 |
LogP: | -3.73390 |
The Acetic acid, iron(3+)salt (3:1) with CAS registry number of 1834-30-6 is also known as Aceticacid, iron(3+) salt (8CI,9CI). The IUPAC name is Iron(3+) triacetate. Its EINECS registry number is 217-396-8. In addition, the formula is C2H4O2.1/3Fe and the molecular weight is 77.66.
Physical properties about Acetic acid, iron(3+)salt (3:1) are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.73; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3Å2; (13)Flash Point: 40 °C; (14)Enthalpy of Vaporization: 23.7 kJ/mol; (15)Boiling Point: 117.1 °C at 760 mmHg; (16)Vapour Pressure: 13.9 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: [Fe+3].O=C([O-])C.[O-]C(=O)C.[O-]C(=O)C
2. InChI: InChI=1/3C2H4O2.Fe/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
3. InChIKey: PVFSDGKDKFSOTB-DFZHHIFOAZ
4. Std. InChI: InChI=1S/3C2H4O2.Fe/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
5. Std. InChIKey: PVFSDGKDKFSOTB-UHFFFAOYSA-K