- InChI
- InChI=1S/C15H20BrNO3/c1-3-4-7-10-20-14(18)11-17(2)15(19)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
- InChI Key
- ZKGHCIKFIPTLSN-UHFFFAOYSA-N
- Formula
- C15H20BrNO3
- SMILES
-
CCCCCOC(=O)CN(C)C(=O)c1ccccc1B
r - Molecular Weight1
- 342.23
- 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 | 0.7768 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.254 | Crippen Calculated Property | |
| McVol | 234.940 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 630.43 | K | Relay (1.0) Calculated Property |
| Tc | 841.19 | K | Relay (1.0) Calculated Property |
| Tfus | 313.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.845 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.77; 714.30] | J/mol×K | [783.02; 996.16] |
|
| Cp,gas | 645.77 | J/mol×K | 783.02 | Joback Calculated Property |
| Cp,gas | 659.46 | J/mol×K | 818.54 | Joback Calculated Property |
| Cp,gas | 672.19 | J/mol×K | 854.07 | Joback Calculated Property |
| Cp,gas | 683.99 | J/mol×K | 889.59 | Joback Calculated Property |
| Cp,gas | 694.91 | J/mol×K | 925.11 | Joback Calculated Property |
| Cp,gas | 705.00 | J/mol×K | 960.63 | Joback Calculated Property |
| Cp,gas | 714.30 | J/mol×K | 996.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-bromobenzoyl)-, pentyl ester.
Sources
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