- InChI
- InChI=1S/C24H38BrNO3/c1-4-5-6-7-8-9-10-11-12-13-17-29-24(28)22(19(2)3)26-23(27)20-15-14-16-21(25)18-20/h14-16,18-19,22H,4-13,17H2,1-3H3,(H,26,27)
- InChI Key
- NYXALLIATRMWGO-UHFFFAOYSA-N
- Formula
- C24H38BrNO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(NC(=O)c1cc
cc(Br)c1)C(C)C - Molecular Weight1
- 468.47
- 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 | 1.0656 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.668 | Crippen Calculated Property | |
| McVol | 361.750 | ml/mol | McGowan Calculated Property |
| Pc | 1111.85 | kPa | Joback Calculated Property |
| Inp | [3162.00; 3162.00] |
|
|
| Inp | 3162.00 | NIST | |
| Inp | 3162.00 | NIST | |
| Tboil | 676.17 | K | Relay (1.0) Calculated Property |
| Tc | 918.04 | K | Relay (1.0) Calculated Property |
| Tfus | 357.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.291 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1190.59; 1264.78] | J/mol×K | [1025.79; 1255.86] |
|
| Cp,gas | 1190.59 | J/mol×K | 1025.79 | Joback Calculated Property |
| Cp,gas | 1205.91 | J/mol×K | 1064.14 | Joback Calculated Property |
| Cp,gas | 1219.94 | J/mol×K | 1102.48 | Joback Calculated Property |
| Cp,gas | 1232.76 | J/mol×K | 1140.83 | Joback Calculated Property |
| Cp,gas | 1244.45 | J/mol×K | 1179.17 | Joback Calculated Property |
| Cp,gas | 1255.10 | J/mol×K | 1217.52 | Joback Calculated Property |
| Cp,gas | 1264.78 | J/mol×K | 1255.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-bromobenzoyl)-, dodecyl ester.
Sources
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