- InChI
- InChI=1S/C17H24BrNO3/c1-4-5-6-10-22-17(21)15(12(2)3)19-16(20)13-8-7-9-14(18)11-13/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,19,20)
- InChI Key
- LVROHIZESMZYGZ-UHFFFAOYSA-N
- Formula
- C17H24BrNO3
- SMILES
-
CCCCCOC(=O)C(NC(=O)c1cccc(Br)c
1)C(C)C - Molecular Weight1
- 370.28
- 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 | 0.7923 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.937 | Crippen Calculated Property | |
| McVol | 263.120 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | [2450.00; 2450.00] |
|
|
| Inp | 2450.00 | NIST | |
| Inp | 2450.00 | NIST | |
| Tboil | 626.38 | K | Relay (1.0) Calculated Property |
| Tc | 866.22 | K | Relay (1.0) Calculated Property |
| Tfus | 351.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [772.81; 840.17] | J/mol×K | [865.63; 1083.89] |
|
| Cp,gas | 772.81 | J/mol×K | 865.63 | Joback Calculated Property |
| Cp,gas | 786.55 | J/mol×K | 902.01 | Joback Calculated Property |
| Cp,gas | 799.22 | J/mol×K | 938.38 | Joback Calculated Property |
| Cp,gas | 810.87 | J/mol×K | 974.76 | Joback Calculated Property |
| Cp,gas | 821.55 | J/mol×K | 1011.13 | Joback Calculated Property |
| Cp,gas | 831.30 | J/mol×K | 1047.51 | Joback Calculated Property |
| Cp,gas | 840.17 | J/mol×K | 1083.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-bromobenzoyl)-, pentyl ester.
Sources
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