- InChI
- InChI=1S/C10H12BrNO2/c1-7(2)14-10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
- InChI Key
- MGPOTYUNIPGUIA-UHFFFAOYSA-N
- Formula
- C10H12BrNO2
- SMILES
- CC(C)OC(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 258.11
- 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° | 3.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.406 | Crippen Calculated Property | |
| McVol | 162.920 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Inp | [1716.00; 1716.00] |
|
|
| Inp | 1716.00 | NIST | |
| Inp | 1716.00 | NIST | |
| Tboil | 652.04 | K | Joback Calculated Property |
| Tc | 882.30 | K | Joback Calculated Property |
| Tfus | 411.02 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.44; 446.39] | J/mol×K | [652.04; 882.30] |
|
| Cp,gas | 384.44 | J/mol×K | 652.04 | Joback Calculated Property |
| Cp,gas | 396.83 | J/mol×K | 690.42 | Joback Calculated Property |
| Cp,gas | 408.35 | J/mol×K | 728.79 | Joback Calculated Property |
| Cp,gas | 419.04 | J/mol×K | 767.17 | Joback Calculated Property |
| Cp,gas | 428.93 | J/mol×K | 805.55 | Joback Calculated Property |
| Cp,gas | 438.03 | J/mol×K | 843.93 | Joback Calculated Property |
| Cp,gas | 446.39 | J/mol×K | 882.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, 4-bromophenyl, 1-methylethyl ester.
Sources
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