- InChI
- InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-25-20(23)16-17-22-21(24)19(2)3/h19H,4-18H2,1-3H3,(H,22,24)
- InChI Key
- XGDYFIPEDWKJHO-UHFFFAOYSA-N
- Formula
- C21H41NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCNC(=O)C(
C)C - 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 | 1.0543 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.393 | Crippen Calculated Property | |
| McVol | 325.740 | ml/mol | McGowan Calculated Property |
| Pc | 1037.90 | kPa | Joback Calculated Property |
| Inp | 2623.00 | NIST | |
| Tboil | 616.00 | K | Relay (1.0) Calculated Property |
| Tc | 821.60 | K | Relay (1.0) Calculated Property |
| Tfus | 323.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.245 | 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
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Sources
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