- InChI
- InChI=1S/C30H49F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36-30(35)28(24(2)3)33-29(34)25-20-21-26(31)27(32)23-25/h20-21,23-24,28H,4-19,22H2,1-3H3,(H,33,34)
- InChI Key
- NBOCEXRNQMSJJI-UHFFFAOYSA-N
- Formula
- C30H49F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=
O)c1ccc(F)c(F)c1)C(C)C - Molecular Weight1
- 509.71
- 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 | 1.2858 | Relay (1.0) Calculated Property | |
| ΔfG° | -373.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1230.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.524 | Crippen Calculated Property | |
| McVol | 432.330 | ml/mol | McGowan Calculated Property |
| Pc | 711.49 | kPa | Joback Calculated Property |
| Inp | [3444.00; 3444.00] |
|
|
| Inp | 3444.00 | NIST | |
| Inp | 3444.00 | NIST | |
| Tboil | 691.26 | K | Relay (1.0) Calculated Property |
| Tc | 918.35 | K | Relay (1.0) Calculated Property |
| Tfus | 364.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1541.88; 1628.11] | J/mol×K | [1100.43; 1373.90] |
|
| Cp,gas | 1541.88 | J/mol×K | 1100.43 | Joback Calculated Property |
| Cp,gas | 1561.13 | J/mol×K | 1146.01 | Joback Calculated Property |
| Cp,gas | 1578.22 | J/mol×K | 1191.59 | Joback Calculated Property |
| Cp,gas | 1593.32 | J/mol×K | 1237.16 | Joback Calculated Property |
| Cp,gas | 1606.56 | J/mol×K | 1282.74 | Joback Calculated Property |
| Cp,gas | 1618.11 | J/mol×K | 1328.32 | Joback Calculated Property |
| Cp,gas | 1628.11 | J/mol×K | 1373.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, octadecyl ester.
Sources
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