- InChI
- InChI=1S/C14H18BrNO3/c1-10(2)9-19-13(17)8-16(3)14(18)11-6-4-5-7-12(11)15/h4-7,10H,8-9H2,1-3H3
- InChI Key
- HNYJWBWORKAODO-UHFFFAOYSA-N
- Formula
- C14H18BrNO3
- SMILES
-
CC(C)COC(=O)CN(C)C(=O)c1ccccc1
Br - Molecular Weight1
- 328.20
- 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 | 0.7012 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 220.850 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [2166.00; 2166.00] |
|
|
| Inp | 2166.00 | NIST | |
| Inp | 2166.00 | NIST | |
| Tboil | 622.01 | K | Relay (1.0) Calculated Property |
| Tc | 829.48 | K | Relay (1.0) Calculated Property |
| Tfus | 328.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.91; 659.31] | J/mol×K | [759.70; 978.79] |
|
| Cp,gas | 591.91 | J/mol×K | 759.70 | Joback Calculated Property |
| Cp,gas | 605.47 | J/mol×K | 796.21 | Joback Calculated Property |
| Cp,gas | 618.05 | J/mol×K | 832.73 | Joback Calculated Property |
| Cp,gas | 629.67 | J/mol×K | 869.24 | Joback Calculated Property |
| Cp,gas | 640.40 | J/mol×K | 905.76 | Joback Calculated Property |
| Cp,gas | 650.26 | J/mol×K | 942.27 | Joback Calculated Property |
| Cp,gas | 659.31 | J/mol×K | 978.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-bromobenzoyl)-, isobutyl ester.
Sources
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