- InChI
- InChI=1S/C14H17BrFNO4/c1-17(2)7-8-20-13(18)5-6-14(19)21-12-4-3-10(16)9-11(12)15/h3-4,9H,5-8H2,1-2H3
- InChI Key
- HQTSAVZVFVQKCZ-UHFFFAOYSA-N
- Formula
- C14H17BrFNO4
- SMILES
-
CN(C)CCOC(=O)CCC(=O)Oc1ccc(F)c
c1Br - Molecular Weight1
- 362.19
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -377.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 2.379 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Inp | [2203.00; 2203.00] |
|
|
| Inp | 2203.00 | NIST | |
| Inp | 2203.00 | NIST | |
| Tboil | 786.81 | K | Joback Calculated Property |
| Tc | 994.56 | K | Joback Calculated Property |
| Tfus | 536.18 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.93; 685.01] | J/mol×K | [786.81; 994.56] |
|
| Cp,gas | 623.93 | J/mol×K | 786.81 | Joback Calculated Property |
| Cp,gas | 636.31 | J/mol×K | 821.44 | Joback Calculated Property |
| Cp,gas | 647.78 | J/mol×K | 856.06 | Joback Calculated Property |
| Cp,gas | 658.37 | J/mol×K | 890.69 | Joback Calculated Property |
| Cp,gas | 668.09 | J/mol×K | 925.31 | Joback Calculated Property |
| Cp,gas | 676.96 | J/mol×K | 959.94 | Joback Calculated Property |
| Cp,gas | 685.01 | J/mol×K | 994.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl 2-(dimethylamino)ethyl ester.
Sources
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