- InChI
- InChI=1S/C15H19NO6/c1-11(2)9-21-14(17)6-7-15(18)22-10-12-4-3-5-13(8-12)16(19)20/h3-5,8,11H,6-7,9-10H2,1-2H3
- InChI Key
- FCRHABQZCZNZMH-UHFFFAOYSA-N
- Formula
- C15H19NO6
- SMILES
-
CC(C)COC(=O)CCC(=O)OCc1cccc([N
+](=O)[O-])c1 - Molecular Weight1
- 309.31
- 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 | 0.8744 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.617 | Crippen Calculated Property | |
| McVol | 230.750 | ml/mol | McGowan Calculated Property |
| Pc | 2010.90 | kPa | Joback Calculated Property |
| Inp | 2334.00 | NIST | |
| Tboil | 618.15 | K | Relay (1.0) Calculated Property |
| Tc | 853.05 | K | Relay (1.0) Calculated Property |
| Tfus | 309.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.837 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.81; 753.69] | J/mol×K | [878.24; 1104.68] | 
|
| Cp,gas | 698.81 | J/mol×K | 878.24 | Joback Calculated Property |
| Cp,gas | 710.85 | J/mol×K | 915.98 | Joback Calculated Property |
| Cp,gas | 721.71 | J/mol×K | 953.72 | Joback Calculated Property |
| Cp,gas | 731.40 | J/mol×K | 991.46 | Joback Calculated Property |
| Cp,gas | 739.95 | J/mol×K | 1029.20 | Joback Calculated Property |
| Cp,gas | 747.37 | J/mol×K | 1066.94 | Joback Calculated Property |
| Cp,gas | 753.69 | J/mol×K | 1104.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 3-nitrobenzyl ester.
Sources
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