- InChI
- InChI=1S/C18H26BrNO3/c1-4-5-6-7-11-23-18(22)16(13(2)3)20-17(21)14-9-8-10-15(19)12-14/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,20,21)
- InChI Key
- LOXGCZNKWIALOH-UHFFFAOYSA-N
- Formula
- C18H26BrNO3
- SMILES
-
CCCCCCOC(=O)C(NC(=O)c1cccc(Br)
c1)C(C)C - 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 | 0.8324 | Relay (1.0) Calculated Property | |
| ΔfG° | -60.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.327 | Crippen Calculated Property | |
| McVol | 277.210 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [2548.00; 2548.00] |
|
|
| Inp | 2548.00 | NIST | |
| Inp | 2548.00 | NIST | |
| Tboil | 634.22 | K | Relay (1.0) Calculated Property |
| Tc | 874.73 | K | Relay (1.0) Calculated Property |
| Tfus | 351.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [830.48; 898.86] | J/mol×K | [888.51; 1105.97] |
|
| Cp,gas | 830.48 | J/mol×K | 888.51 | Joback Calculated Property |
| Cp,gas | 844.43 | J/mol×K | 924.75 | Joback Calculated Property |
| Cp,gas | 857.29 | J/mol×K | 961.00 | Joback Calculated Property |
| Cp,gas | 869.12 | J/mol×K | 997.24 | Joback Calculated Property |
| Cp,gas | 879.95 | J/mol×K | 1033.49 | Joback Calculated Property |
| Cp,gas | 889.85 | J/mol×K | 1069.73 | Joback Calculated Property |
| Cp,gas | 898.86 | J/mol×K | 1105.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-bromobenzoyl)-, hexyl ester.
Sources
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