- InChI
- InChI=1S/C21H25NO3/c1-16(2)15-25-21(24)14-8-13-20(23)22-19-12-7-6-11-18(19)17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,22,23)
- InChI Key
- BXAJBCPVTYODJR-UHFFFAOYSA-N
- Formula
- C21H25NO3
- SMILES
-
CC(C)COC(=O)CCCC(=O)Nc1ccccc1-
c1ccccc1 - Molecular Weight1
- 339.43
- 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° | 65.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 4.662 | Crippen Calculated Property | |
| McVol | 278.220 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | 2718.00 | NIST | |
| Tboil | 918.11 | K | Joback Calculated Property |
| Tc | 1145.34 | K | Joback Calculated Property |
| Tfus | 551.54 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [867.91; 934.39] | J/mol×K | [918.11; 1145.34] | 
|
| Cp,gas | 867.91 | J/mol×K | 918.11 | Joback Calculated Property |
| Cp,gas | 881.91 | J/mol×K | 955.98 | Joback Calculated Property |
| Cp,gas | 894.66 | J/mol×K | 993.85 | Joback Calculated Property |
| Cp,gas | 906.22 | J/mol×K | 1031.73 | Joback Calculated Property |
| Cp,gas | 916.65 | J/mol×K | 1069.60 | Joback Calculated Property |
| Cp,gas | 926.02 | J/mol×K | 1107.47 | Joback Calculated Property |
| Cp,gas | 934.39 | J/mol×K | 1145.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-biphenyl)-, isobutyl ester.
Sources
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