- InChI
- InChI=1S/C22H34BrNO3/c1-3-4-5-6-7-8-9-10-11-14-17-27-21(25)18-24(2)22(26)19-15-12-13-16-20(19)23/h12-13,15-16H,3-11,14,17-18H2,1-2H3
- InChI Key
- FTRAOPPTGRVCRG-UHFFFAOYSA-N
- Formula
- C22H34BrNO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1
ccccc1Br - Molecular Weight1
- 440.41
- 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 | 1.0500 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.985 | Crippen Calculated Property | |
| McVol | 333.570 | ml/mol | McGowan Calculated Property |
| Pc | 1241.58 | kPa | Joback Calculated Property |
| Inp | [3207.00; 3207.00] |
|
|
| Inp | 3207.00 | NIST | |
| Inp | 3207.00 | NIST | |
| Tboil | 680.01 | K | Relay (1.0) Calculated Property |
| Tc | 893.64 | K | Relay (1.0) Calculated Property |
| Tfus | 324.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.228 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1052.13; 1130.19] | J/mol×K | [943.18; 1157.35] |
|
| Cp,gas | 1052.13 | J/mol×K | 943.18 | Joback Calculated Property |
| Cp,gas | 1067.71 | J/mol×K | 978.87 | Joback Calculated Property |
| Cp,gas | 1082.17 | J/mol×K | 1014.57 | Joback Calculated Property |
| Cp,gas | 1095.58 | J/mol×K | 1050.26 | Joback Calculated Property |
| Cp,gas | 1108.01 | J/mol×K | 1085.96 | Joback Calculated Property |
| Cp,gas | 1119.53 | J/mol×K | 1121.65 | Joback Calculated Property |
| Cp,gas | 1130.19 | J/mol×K | 1157.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-bromobenzoyl)-, dodecyl ester.
Sources
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