- InChI
- InChI=1S/C17H23NO6/c1-3-4-5-7-13(2)23-16(19)10-11-17(20)24-15-9-6-8-14(12-15)18(21)22/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3
- InChI Key
- KTRHYKIPKLPCHK-UHFFFAOYSA-N
- Formula
- C17H23NO6
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1cccc(
[N+](=O)[O-])c1 - Molecular Weight1
- 337.37
- 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 | 0.9662 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 258.930 | ml/mol | McGowan Calculated Property |
| Pc | 1704.71 | kPa | Joback Calculated Property |
| Inp | [2513.00; 2513.00] |
|
|
| Inp | 2513.00 | NIST | |
| Inp | 2513.00 | NIST | |
| Tboil | 626.06 | K | Relay (1.0) Calculated Property |
| Tc | 871.78 | K | Relay (1.0) Calculated Property |
| Tfus | 317.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.88; 868.56] | J/mol×K | [924.00; 1148.18] |
|
| Cp,gas | 812.88 | J/mol×K | 924.00 | Joback Calculated Property |
| Cp,gas | 825.20 | J/mol×K | 961.36 | Joback Calculated Property |
| Cp,gas | 836.26 | J/mol×K | 998.73 | Joback Calculated Property |
| Cp,gas | 846.10 | J/mol×K | 1036.09 | Joback Calculated Property |
| Cp,gas | 854.75 | J/mol×K | 1073.45 | Joback Calculated Property |
| Cp,gas | 862.23 | J/mol×K | 1110.82 | Joback Calculated Property |
| Cp,gas | 868.56 | J/mol×K | 1148.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 3-nitrophenyl ester.
Sources
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