- InChI
- InChI=1S/C22H31NO4/c1-3-4-5-6-7-8-10-18(2)26-21(24)11-9-12-22(25)27-20-15-13-19(17-23)14-16-20/h13-16,18H,3-12H2,1-2H3
- InChI Key
- BPJYEEYNIRWFPC-UHFFFAOYSA-N
- Formula
- C22H31NO4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
cc(C#N)cc1 - Molecular Weight1
- 373.49
- 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° | -99.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.91 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 5.316 | Crippen Calculated Property | |
| McVol | 313.340 | ml/mol | McGowan Calculated Property |
| Pc | 1157.71 | kPa | Joback Calculated Property |
| Inp | [2819.00; 2819.00] |
|
|
| Inp | 2819.00 | NIST | |
| Inp | 2819.00 | NIST | |
| Tboil | 988.64 | K | Joback Calculated Property |
| Tc | 1211.56 | K | Joback Calculated Property |
| Tfus | 570.95 | K | Joback Calculated Property |
| Vc | 1.228 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1020.62; 1080.56] | J/mol×K | [988.64; 1211.56] |
|
| Cp,gas | 1020.62 | J/mol×K | 988.64 | Joback Calculated Property |
| Cp,gas | 1033.88 | J/mol×K | 1025.79 | Joback Calculated Property |
| Cp,gas | 1045.78 | J/mol×K | 1062.95 | Joback Calculated Property |
| Cp,gas | 1056.36 | J/mol×K | 1100.10 | Joback Calculated Property |
| Cp,gas | 1065.66 | J/mol×K | 1137.25 | Joback Calculated Property |
| Cp,gas | 1073.72 | J/mol×K | 1174.41 | Joback Calculated Property |
| Cp,gas | 1080.56 | J/mol×K | 1211.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 4-cyanophenyl ester.
Sources
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