- InChI
- InChI=1S/C18H26BrNO3/c1-3-4-5-6-7-8-13-23-17(21)14-20(2)18(22)15-9-11-16(19)12-10-15/h9-12H,3-8,13-14H2,1-2H3
- InChI Key
- ABCWLUUEOCOVOE-UHFFFAOYSA-N
- Formula
- C18H26BrNO3
- SMILES
-
CCCCCCCCOC(=O)CN(C)C(=O)c1ccc(
Br)cc1 - Molecular Weight1
- 384.31
- 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 | 0.9056 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.425 | Crippen Calculated Property | |
| McVol | 277.210 | ml/mol | McGowan Calculated Property |
| Pc | 1660.55 | kPa | Joback Calculated Property |
| Inp | 2682.00 | NIST | |
| Tboil | 658.94 | K | Relay (1.0) Calculated Property |
| Tc | 864.81 | K | Relay (1.0) Calculated Property |
| Tfus | 323.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.007 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [815.03; 887.97] | J/mol×K | [851.66; 1060.97] | 
|
| Cp,gas | 815.03 | J/mol×K | 851.66 | Joback Calculated Property |
| Cp,gas | 829.55 | J/mol×K | 886.55 | Joback Calculated Property |
| Cp,gas | 843.06 | J/mol×K | 921.43 | Joback Calculated Property |
| Cp,gas | 855.61 | J/mol×K | 956.32 | Joback Calculated Property |
| Cp,gas | 867.24 | J/mol×K | 991.20 | Joback Calculated Property |
| Cp,gas | 878.01 | J/mol×K | 1026.09 | Joback Calculated Property |
| Cp,gas | 887.97 | J/mol×K | 1060.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-bromobenzoyl)-, octyl ester.
Sources
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