- InChI
- InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
- InChI Key
- CMCCHHWTTBEZNM-UHFFFAOYSA-N
- Formula
- C6H11BrN2O2
- SMILES
- CC(C)C(Br)C(=O)NC(N)=O
- Molecular Weight1
- 223.07
- CAS
- 496-67-3
- Other Names
-
- Butanamide, N-(aminocarbonyl)-2-bromo-3-methyl-
- Urea, (2-bromo-3-methylbutyryl)-
- «alpha»-Bromisovalerylurea
- «alpha»-Bromoisovaleric acid ureide
- («alpha»-Bromo-.beta,beta.-dimethylpropanoyl)urea
- («alpha»-Bromoisovaleroyl)urea
- («alpha»-Bromoisovaleryl)urea
- Abroval
- Alluval
- Alural
- Bromaral
- Bromcarbamide
- Bromisoval
- Bromisovalerylurea
- Bromizoval
- Bromocarbamide
- Bromoisovalum
- Bromoval
- Bromovalerocarbamide
- Bromovaleroylurea
- Bromovalerylurea
- Bromoxil
- Bromural
- Bromvalerylurea
- Bromvaletone
- Bromvalurea
- Bromyl
- Brovalin
- Brovalurea
- Brovarin
- BVU
- Calmotin
- Dagrabromyl
- Dibroluur
- Dormigene
- Isobromyl
- Pivadorm
- Pivadorn
- Upiol
- Uvaleral
- 2-Bromo-3-Methylbutyrylurea
- 2-Bromo-isovaleryl urea
- N-(Aminocarbonyl)-2-bromo-3-methylbutanamide
- 2-Bromisovalerylmocovina
- Bromuvan
- Bromvaletonum
- Monobromoisovalerylurea
- 2-Monobromoisovalerylurea
- Somnurol
- B.V.U.
- (.+/-.)-Bromisoval
- (RS)-2-Bromoisovalerylurea
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -92.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.18 | kJ/mol | Joback Calculated Property |
| log10WS | -1.79 | Crippen Calculated Property | |
| logPoct/wat | 0.601 | Crippen Calculated Property | |
| McVol | 136.000 | ml/mol | McGowan Calculated Property |
| Pc | 4368.40 | kPa | Joback Calculated Property |
| Inp | 1510.00 | NIST | |
| Tboil | 632.40 | K | Joback Calculated Property |
| Tc | 855.40 | K | Joback Calculated Property |
| Tfus | 422.96 | K | Joback Calculated Property |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.19; 368.37] | J/mol×K | [632.40; 855.40] | 
|
| Cp,gas | 319.19 | J/mol×K | 632.40 | Joback Calculated Property |
| Cp,gas | 328.95 | J/mol×K | 669.57 | Joback Calculated Property |
| Cp,gas | 338.04 | J/mol×K | 706.73 | Joback Calculated Property |
| Cp,gas | 346.50 | J/mol×K | 743.90 | Joback Calculated Property |
| Cp,gas | 354.36 | J/mol×K | 781.07 | Joback Calculated Property |
| Cp,gas | 361.63 | J/mol×K | 818.24 | Joback Calculated Property |
| Cp,gas | 368.37 | J/mol×K | 855.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromisovalum.
Sources
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