- InChI
- InChI=1S/C22H33NO6/c1-4-7-8-9-10-11-12-17-28-20(24)22(5-2,6-3)21(25)29-19-15-13-18(14-16-19)23(26)27/h13-16H,4-12,17H2,1-3H3
- InChI Key
- IWPOEQNKASGOIB-UHFFFAOYSA-N
- Formula
- C22H33NO6
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
c1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 407.50
- 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 | 1.0988 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -853.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.600 | Crippen Calculated Property | |
| McVol | 329.380 | ml/mol | McGowan Calculated Property |
| Pc | 1196.48 | kPa | Joback Calculated Property |
| Inp | 2747.00 | NIST | |
| Tboil | 660.16 | K | Relay (1.0) Calculated Property |
| Tc | 917.82 | K | Relay (1.0) Calculated Property |
| Tfus | 340.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.176 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.71; 1169.20] | J/mol×K | [1035.61; 1269.26] | 
|
| Cp,gas | 1108.71 | J/mol×K | 1035.61 | Joback Calculated Property |
| Cp,gas | 1121.83 | J/mol×K | 1074.55 | Joback Calculated Property |
| Cp,gas | 1133.63 | J/mol×K | 1113.49 | Joback Calculated Property |
| Cp,gas | 1144.19 | J/mol×K | 1152.43 | Joback Calculated Property |
| Cp,gas | 1153.59 | J/mol×K | 1191.37 | Joback Calculated Property |
| Cp,gas | 1161.90 | J/mol×K | 1230.32 | Joback Calculated Property |
| Cp,gas | 1169.20 | J/mol×K | 1269.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-nitrophenyl nonyl ester.
Sources
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