- InChI
- InChI=1S/C17H9F6NO6/c18-7-1-2-9(24(27)28)10(5-7)30-12(26)4-3-11(25)29-6-8-13(19)15(21)17(23)16(22)14(8)20/h1-2,5H,3-4,6H2
- InChI Key
- VZSGBCZDEHFGTP-UHFFFAOYSA-N
- Formula
- C17H9F6NO6
- SMILES
-
O=C(CCC(=O)Oc1cc(F)ccc1[N+](=O
)[O-])OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 437.25
- 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° | -1351.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1678.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.62 | kJ/mol | Joback Calculated Property |
| log10WS | -6.65 | Crippen Calculated Property | |
| logPoct/wat | 3.858 | Crippen Calculated Property | |
| McVol | 245.790 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | [2464.00; 2464.00] |
|
|
| Inp | 2464.00 | NIST | |
| Inp | 2464.00 | NIST | |
| Tboil | 976.62 | K | Joback Calculated Property |
| Tc | 1199.72 | K | Joback Calculated Property |
| Tfus | 713.30 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.06; 762.39] | J/mol×K | [976.62; 1199.72] |
|
| Cp,gas | 737.06 | J/mol×K | 976.62 | Joback Calculated Property |
| Cp,gas | 744.27 | J/mol×K | 1013.80 | Joback Calculated Property |
| Cp,gas | 750.29 | J/mol×K | 1050.99 | Joback Calculated Property |
| Cp,gas | 755.11 | J/mol×K | 1088.17 | Joback Calculated Property |
| Cp,gas | 758.74 | J/mol×K | 1125.35 | Joback Calculated Property |
| Cp,gas | 761.17 | J/mol×K | 1162.54 | Joback Calculated Property |
| Cp,gas | 762.39 | J/mol×K | 1199.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 5-fluoro-2-nitrophenyl pentafluorobenzyl ester.
Sources
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