- InChI
- InChI=1S/C21H41NO3/c1-4-6-8-10-11-13-18-25-21(24)17-14-16-20(23)22-19(3)15-12-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,23)
- InChI Key
- IUKAWPNQERZGGU-UHFFFAOYSA-N
- Formula
- C21H41NO3
- SMILES
-
CCCCCCCCOC(=O)CCCC(=O)NC(C)CCC
CCC - Molecular Weight1
- 355.56
- 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 | 1.0454 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -940.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.535 | Crippen Calculated Property | |
| McVol | 325.740 | ml/mol | McGowan Calculated Property |
| Pc | 1037.90 | kPa | Joback Calculated Property |
| Inp | 2970.00 | NIST | |
| Tboil | 621.90 | K | Relay (1.0) Calculated Property |
| Tc | 825.55 | K | Relay (1.0) Calculated Property |
| Tfus | 309.56 | K | Relay (1.0) Calculated Property |
| Vc | 1.232 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.06; 1158.95] | J/mol×K | [859.77; 1053.02] | 
|
| Cp,gas | 1064.06 | J/mol×K | 859.77 | Joback Calculated Property |
| Cp,gas | 1082.62 | J/mol×K | 891.98 | Joback Calculated Property |
| Cp,gas | 1100.03 | J/mol×K | 924.19 | Joback Calculated Property |
| Cp,gas | 1116.34 | J/mol×K | 956.39 | Joback Calculated Property |
| Cp,gas | 1131.57 | J/mol×K | 988.60 | Joback Calculated Property |
| Cp,gas | 1145.76 | J/mol×K | 1020.81 | Joback Calculated Property |
| Cp,gas | 1158.95 | J/mol×K | 1053.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, monoamide, N-(2-octyl)-, octyl ester.
Sources
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