- InChI
- InChI=1S/C21H32BrNO3/c1-3-4-5-6-7-8-9-10-11-15-26-20(24)17-23(2)21(25)18-13-12-14-19(22)16-18/h12-14,16H,3-11,15,17H2,1-2H3
- InChI Key
- OZKKLMOJSXGVBA-UHFFFAOYSA-N
- Formula
- C21H32BrNO3
- SMILES
-
CCCCCCCCCCCOC(=O)CN(C)C(=O)c1c
ccc(Br)c1 - Molecular Weight1
- 426.39
- 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° | -9.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.66 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 5.595 | Crippen Calculated Property | |
| McVol | 319.480 | ml/mol | McGowan Calculated Property |
| Pc | 1330.04 | kPa | Joback Calculated Property |
| Inp | 3083.00 | NIST | |
| Tboil | 920.30 | K | Joback Calculated Property |
| Tc | 1132.03 | K | Joback Calculated Property |
| Tfus | 579.73 | K | Joback Calculated Property |
| Vc | 1.214 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [991.80; 1068.53] | J/mol×K | [920.30; 1132.03] | 
|
| Cp,gas | 991.80 | J/mol×K | 920.30 | Joback Calculated Property |
| Cp,gas | 1007.10 | J/mol×K | 955.59 | Joback Calculated Property |
| Cp,gas | 1021.31 | J/mol×K | 990.88 | Joback Calculated Property |
| Cp,gas | 1034.49 | J/mol×K | 1026.17 | Joback Calculated Property |
| Cp,gas | 1046.71 | J/mol×K | 1061.46 | Joback Calculated Property |
| Cp,gas | 1058.04 | J/mol×K | 1096.74 | Joback Calculated Property |
| Cp,gas | 1068.53 | J/mol×K | 1132.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-bromobenzoyl)-, undecyl ester.
Sources
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