- InChI
- InChI=1S/C18H23NO4/c1-5-18(6-2,16(20)22-12-13(3)4)17(21)23-15-9-7-14(11-19)8-10-15/h7-10,13H,5-6,12H2,1-4H3
- InChI Key
- YDPZPDZPWONJBS-UHFFFAOYSA-N
- Formula
- C18H23NO4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(C#N)cc1 - Molecular Weight1
- 317.38
- 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° | -130.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 256.980 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | [2179.00; 2179.00] |
|
|
| Inp | 2179.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Tboil | 893.89 | K | Joback Calculated Property |
| Tc | 1115.96 | K | Joback Calculated Property |
| Tfus | 528.29 | K | Joback Calculated Property |
| Vc | 0.993 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.36; 846.83] | J/mol×K | [893.89; 1115.96] |
|
| Cp,gas | 786.36 | J/mol×K | 893.89 | Joback Calculated Property |
| Cp,gas | 799.10 | J/mol×K | 930.90 | Joback Calculated Property |
| Cp,gas | 810.72 | J/mol×K | 967.91 | Joback Calculated Property |
| Cp,gas | 821.26 | J/mol×K | 1004.92 | Joback Calculated Property |
| Cp,gas | 830.77 | J/mol×K | 1041.94 | Joback Calculated Property |
| Cp,gas | 839.27 | J/mol×K | 1078.95 | Joback Calculated Property |
| Cp,gas | 846.83 | J/mol×K | 1115.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl isobutyl ester.
Sources
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