- InChI
- InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)
- InChI Key
- SAZUGELZHZOXHB-UHFFFAOYSA-N
- Formula
- C9H15BrN2O3
- SMILES
- CCC(Br)(CC)C(=O)NC(=O)NC(C)=O
- Molecular Weight1
- 279.13
- CAS
- 77-66-7
- Other Names
-
- Butanamide, N-[(acetylamino)carbonyl]-2-bromo-2-ethyl-
- Acecarbromal
- Urea, 1-acetyl-3-(2-bromo-2-ethylbutyryl)-
- Abasin
- Absin
- Acetcarbromal
- Acetyl Adalin
- Adityl
- Carbased
- Darolon
- N-Acetyl-N'-diethylbromoacetylurea
- Sedamyl
- Acetylbromodiethylacetylcarbamide
- Acetkarbromal
- N-Acetyl-N'-«alpha»-bromo-«alpha»-ethylbutyrylcarbamide
- N-((Acetylamino)carbonyl)-2-bromo-2-ethylbutanamide
- 1-Acetyl-3-(«alpha»-bromo-«alpha»-ethylbutyryl)urea
- 1-Acetyl-3-(2-bromo-2-ethylbutyryl)urea
- Ibatran
- Paxarel
- Sedmynol
- Sedtran
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7162 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.312 | Crippen Calculated Property | |
| McVol | 179.840 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 556.58 | K | Relay (1.0) Calculated Property |
| Tc | 802.06 | K | Relay (1.0) Calculated Property |
| Tfus | 425.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.613 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.20; 524.62] | J/mol×K | [730.20; 944.68] | 
|
| Cp,gas | 471.20 | J/mol×K | 730.20 | Joback Calculated Property |
| Cp,gas | 481.84 | J/mol×K | 765.95 | Joback Calculated Property |
| Cp,gas | 491.72 | J/mol×K | 801.69 | Joback Calculated Property |
| Cp,gas | 500.88 | J/mol×K | 837.44 | Joback Calculated Property |
| Cp,gas | 509.38 | J/mol×K | 873.19 | Joback Calculated Property |
| Cp,gas | 517.28 | J/mol×K | 908.94 | Joback Calculated Property |
| Cp,gas | 524.62 | J/mol×K | 944.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetylcarbromal.
Sources
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