- InChI
- InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
- InChI Key
- OPNPQXLQERQBBV-UHFFFAOYSA-N
- Formula
- C7H13BrN2O2
- SMILES
- CCC(Br)(CC)C(=O)NC(N)=O
- Molecular Weight1
- 237.09
- CAS
- 77-65-6
- Other Names
-
- (2-Bromo-2-ethylbutyryl)urea
- («alpha»-Bromo-«alpha»-ethylbutyryl)carbamide
- («alpha»-Bromo-«alpha»-ethylbutyryl)urea
- («alpha»-Ethyl-«alpha»-bromobutyryl)urea
- («alpha»-Bromo-«alpha»-ethylbutyryl)carbamide
- («alpha»-Bromo-«alpha»-ethylbutyryl)urea
- («alpha»-Ethyl-«alpha»-bromobutyryl)urea
- 1-Bromo-ethyl-butyryl-urea
- 2-Brom-2-ethylbutyrylmocovina
- 2-bromo-N-carbamoyl-2-ethylbutanamide
- Adalin
- Addisomnol
- Adisomnol
- Bromacetocarbamide
- Bromadal
- Bromadel
- Bromdiethylacetylurea
- Bromodiacetylurea
- Bromodiethylacetylcarbamide
- Bromodiethylacetylurea
- Butanamide, N-(aminocarbonyl)-2-bromo-2-ethyl-
- Diacid
- Dormiturin
- Fydalin
- Hoggar
- Karbromal
- Kartryl
- N-(Aminocarbonyl)-2-bromo-2-ethylbutanamide
- NCI-C03805
- NSC 49191
- Nenesin
- Nyctal
- Parkosed
- Pelidorm
- Pianadalin
- Planadalin
- Tildin
- Uradal
- Urea, (2-bromo-2-ethylbutyryl)-
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6925 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.68; -2.68] |
|
|
| log10WS | -2.68 | Aq. Solubility Prediction | |
| log10WS | -2.68 | Estimated Solubility | |
| logPoct/wat | 1.135 | Crippen Calculated Property | |
| McVol | 150.090 | ml/mol | McGowan Calculated Property |
| Pc | 3877.12 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1560.00] |
|
|
| Inp | 1525.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | Outlier 1560.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | Outlier 1560.00 | NIST | |
| Tboil | 540.54 | K | Relay (1.0) Calculated Property |
| Tc | 776.41 | K | Relay (1.0) Calculated Property |
| Tfus | 419.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.01; 421.20] | J/mol×K | [652.93; 875.62] |
|
| Cp,gas | 369.01 | J/mol×K | 652.93 | Joback Calculated Property |
| Cp,gas | 379.44 | J/mol×K | 690.04 | Joback Calculated Property |
| Cp,gas | 389.11 | J/mol×K | 727.16 | Joback Calculated Property |
| Cp,gas | 398.06 | J/mol×K | 764.27 | Joback Calculated Property |
| Cp,gas | 406.36 | J/mol×K | 801.39 | Joback Calculated Property |
| Cp,gas | 414.05 | J/mol×K | 838.50 | Joback Calculated Property |
| Cp,gas | 421.20 | J/mol×K | 875.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbromal.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.