- InChI
- InChI=1S/C22H35NO3/c1-3-4-5-6-7-11-17-26-22(25)16-12-15-21(24)23-18-19(2)20-13-9-8-10-14-20/h8-10,13-14,19H,3-7,11-12,15-18H2,1-2H3,(H,23,24)
- InChI Key
- JLDMJXIZGOTSRQ-UHFFFAOYSA-N
- Formula
- C22H35NO3
- SMILES
-
CCCCCCCCOC(=O)CCCC(=O)NCC(C)c1
ccccc1 - Molecular Weight1
- 361.52
- 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 | 0.9888 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.980 | Crippen Calculated Property | |
| McVol | 316.070 | ml/mol | McGowan Calculated Property |
| Pc | 1214.90 | kPa | Joback Calculated Property |
| Inp | 2824.00 | NIST | |
| Tboil | 655.92 | K | Relay (1.0) Calculated Property |
| Tc | 880.05 | K | Relay (1.0) Calculated Property |
| Tfus | 321.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.154 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1029.29; 1110.79] | J/mol×K | [909.33; 1117.03] | 
|
| Cp,gas | 1029.29 | J/mol×K | 909.33 | Joback Calculated Property |
| Cp,gas | 1045.71 | J/mol×K | 943.95 | Joback Calculated Property |
| Cp,gas | 1060.93 | J/mol×K | 978.56 | Joback Calculated Property |
| Cp,gas | 1074.99 | J/mol×K | 1013.18 | Joback Calculated Property |
| Cp,gas | 1087.95 | J/mol×K | 1047.80 | Joback Calculated Property |
| Cp,gas | 1099.87 | J/mol×K | 1082.41 | Joback Calculated Property |
| Cp,gas | 1110.79 | J/mol×K | 1117.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-phenylpropyl)-, octyl ester.
Sources
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