- InChI
- InChI=1S/C19H18N2O8/c22-18(28-16-10-6-4-8-14(16)20(24)25)12-2-1-3-13-19(23)29-17-11-7-5-9-15(17)21(26)27/h4-11H,1-3,12-13H2
- InChI Key
- ZPTDXNWYBZXQCH-UHFFFAOYSA-N
- Formula
- C19H18N2O8
- SMILES
-
O=C(CCCCCC(=O)Oc1ccccc1[N+](=O
)[O-])Oc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 402.35
- 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 | 1.1310 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.965 | Crippen Calculated Property | |
| McVol | 280.770 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [3270.00; 3270.00] |
|
|
| Inp | 3270.00 | NIST | |
| Inp | 3270.00 | NIST | |
| Tboil | 666.85 | K | Relay (1.0) Calculated Property |
| Tc | 1009.87 | K | Relay (1.0) Calculated Property |
| Tfus | 372.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.997 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [893.89; 905.61] | J/mol×K | [1153.70; 1420.54] |
|
| Cp,gas | 893.89 | J/mol×K | 1153.70 | Joback Calculated Property |
| Cp,gas | 898.98 | J/mol×K | 1198.17 | Joback Calculated Property |
| Cp,gas | 902.59 | J/mol×K | 1242.65 | Joback Calculated Property |
| Cp,gas | 904.77 | J/mol×K | 1287.12 | Joback Calculated Property |
| Cp,gas | 905.61 | J/mol×K | 1331.59 | Joback Calculated Property |
| Cp,gas | 905.17 | J/mol×K | 1376.07 | Joback Calculated Property |
| Cp,gas | 903.51 | J/mol×K | 1420.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(2-nitrophenyl) ester.
Sources
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