- InChI
- InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-10-17(2)28-21(24)14-13-20(23)27-16-18-11-9-12-19(15-18)22(25)26/h9,11-12,15,17H,3-8,10,13-14,16H2,1-2H3
- InChI Key
- CZCPYVGEXPZJJI-UHFFFAOYSA-N
- Formula
- C21H31NO6
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)OCc1c
ccc([N+](=O)[O-])c1 - Molecular Weight1
- 393.47
- 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 | 1.0973 | Relay (1.0) Calculated Property | |
| ΔfG° | -206.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.100 | Crippen Calculated Property | |
| McVol | 315.290 | ml/mol | McGowan Calculated Property |
| Pc | 1270.06 | kPa | Joback Calculated Property |
| Inp | [2936.00; 2936.00] |
|
|
| Inp | 2936.00 | NIST | |
| Inp | 2936.00 | NIST | |
| Tboil | 653.48 | K | Relay (1.0) Calculated Property |
| Tc | 899.67 | K | Relay (1.0) Calculated Property |
| Tfus | 303.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.151 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1048.54; 1103.87] | J/mol×K | [1015.52; 1245.06] |
|
| Cp,gas | 1048.54 | J/mol×K | 1015.52 | Joback Calculated Property |
| Cp,gas | 1061.21 | J/mol×K | 1053.78 | Joback Calculated Property |
| Cp,gas | 1072.44 | J/mol×K | 1092.03 | Joback Calculated Property |
| Cp,gas | 1082.28 | J/mol×K | 1130.29 | Joback Calculated Property |
| Cp,gas | 1090.77 | J/mol×K | 1168.55 | Joback Calculated Property |
| Cp,gas | 1097.95 | J/mol×K | 1206.81 | Joback Calculated Property |
| Cp,gas | 1103.87 | J/mol×K | 1245.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl 3-nitrobenzyl ester.
Sources
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