- InChI
- InChI=1S/C23H35NO6/c1-4-7-8-9-10-11-12-13-18-29-21(25)23(5-2,6-3)22(26)30-20-16-14-19(15-17-20)24(27)28/h14-17H,4-13,18H2,1-3H3
- InChI Key
- FXFXOVFGCVFDCZ-UHFFFAOYSA-N
- Formula
- C23H35NO6
- SMILES
-
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)
Oc1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 421.53
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -183.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.34 | kJ/mol | Joback Calculated Property |
| log10WS | -7.34 | Crippen Calculated Property | |
| logPoct/wat | 5.990 | Crippen Calculated Property | |
| McVol | 343.470 | ml/mol | McGowan Calculated Property |
| Pc | 1120.80 | kPa | Joback Calculated Property |
| Inp | [2846.00; 2846.00] |
|
|
| Inp | 2846.00 | NIST | |
| Inp | 2846.00 | NIST | |
| Tboil | 1058.49 | K | Joback Calculated Property |
| Tc | 1296.08 | K | Joback Calculated Property |
| Tfus | 678.26 | K | Joback Calculated Property |
| Vc | 1.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1169.40; 1230.42] | J/mol×K | [1058.49; 1296.08] |
|
| Cp,gas | 1169.40 | J/mol×K | 1058.49 | Joback Calculated Property |
| Cp,gas | 1182.69 | J/mol×K | 1098.09 | Joback Calculated Property |
| Cp,gas | 1194.62 | J/mol×K | 1137.69 | Joback Calculated Property |
| Cp,gas | 1205.27 | J/mol×K | 1177.28 | Joback Calculated Property |
| Cp,gas | 1214.73 | J/mol×K | 1216.88 | Joback Calculated Property |
| Cp,gas | 1223.09 | J/mol×K | 1256.48 | Joback Calculated Property |
| Cp,gas | 1230.42 | J/mol×K | 1296.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, decyl 4-nitrophenyl ester.
Sources
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