- InChI
- InChI=1S/C16H21NO7/c1-2-3-10-23-15(18)8-9-16(19)24-12-11-22-14-6-4-13(5-7-14)17(20)21/h4-7H,2-3,8-12H2,1H3
- InChI Key
- DTROSPXECHHHIV-UHFFFAOYSA-N
- Formula
- C16H21NO7
- SMILES
-
CCCCOC(=O)CCC(=O)OCCOc1ccc([N+
](=O)[O-])cc1 - Molecular Weight1
- 339.34
- 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 | 1.0193 | Relay (1.0) Calculated Property | |
| ΔfG° | -350.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.640 | Crippen Calculated Property | |
| McVol | 250.710 | ml/mol | McGowan Calculated Property |
| Pc | 1809.23 | kPa | Joback Calculated Property |
| Inp | [2671.00; 2671.00] |
|
|
| Inp | 2671.00 | NIST | |
| Inp | 2671.00 | NIST | |
| Tboil | 646.51 | K | Relay (1.0) Calculated Property |
| Tc | 865.66 | K | Relay (1.0) Calculated Property |
| Tfus | 328.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.921 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.04; 830.08] | J/mol×K | [923.98; 1146.57] |
|
| Cp,gas | 781.04 | J/mol×K | 923.98 | Joback Calculated Property |
| Cp,gas | 792.43 | J/mol×K | 961.08 | Joback Calculated Property |
| Cp,gas | 802.52 | J/mol×K | 998.18 | Joback Calculated Property |
| Cp,gas | 811.33 | J/mol×K | 1035.27 | Joback Calculated Property |
| Cp,gas | 818.86 | J/mol×K | 1072.37 | Joback Calculated Property |
| Cp,gas | 825.11 | J/mol×K | 1109.47 | Joback Calculated Property |
| Cp,gas | 830.08 | J/mol×K | 1146.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, butyl 2-(4-nitrophenoxy)ethyl ester.
Sources
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