- InChI
- InChI=1S/C16H21BrFNO4/c1-3-19(4-2)9-10-22-15(20)7-8-16(21)23-14-6-5-12(18)11-13(14)17/h5-6,11H,3-4,7-10H2,1-2H3
- InChI Key
- JRNLMGWRMWEWQJ-UHFFFAOYSA-N
- Formula
- C16H21BrFNO4
- SMILES
-
CCN(CC)CCOC(=O)CCC(=O)Oc1ccc(F
)cc1Br - Molecular Weight1
- 390.25
- 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° | -360.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.159 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | 2373.00 | NIST | |
| Tboil | 832.57 | K | Joback Calculated Property |
| Tc | 1038.38 | K | Joback Calculated Property |
| Tfus | 558.72 | K | Joback Calculated Property |
| Vc | 0.970 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.78; 798.86] | J/mol×K | [832.57; 1038.38] | 
|
| Cp,gas | 734.78 | J/mol×K | 832.57 | Joback Calculated Property |
| Cp,gas | 747.81 | J/mol×K | 866.87 | Joback Calculated Property |
| Cp,gas | 759.86 | J/mol×K | 901.17 | Joback Calculated Property |
| Cp,gas | 770.97 | J/mol×K | 935.47 | Joback Calculated Property |
| Cp,gas | 781.16 | J/mol×K | 969.77 | Joback Calculated Property |
| Cp,gas | 790.44 | J/mol×K | 1004.08 | Joback Calculated Property |
| Cp,gas | 798.86 | J/mol×K | 1038.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-bromo-4-fluorophenyl N,N-diethyl-2-aminoethyl ester.
Sources
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