- InChI
- InChI=1S/C21H33NO4/c1-3-4-5-6-7-8-9-10-16-26-20(23)14-15-22-21(24)18-12-11-13-19(17-18)25-2/h11-13,17H,3-10,14-16H2,1-2H3,(H,22,24)
- InChI Key
- VVNBQIGDUHKOFB-UHFFFAOYSA-N
- Formula
- C21H33NO4
- SMILES
-
CCCCCCCCCCOC(=O)CCNC(=O)c1cccc
(OC)c1 - Molecular Weight1
- 363.49
- 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 | 1.0787 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.499 | Crippen Calculated Property | |
| McVol | 307.850 | ml/mol | McGowan Calculated Property |
| Pc | 1263.75 | kPa | Joback Calculated Property |
| Inp | 3039.00 | NIST | |
| Tboil | 674.97 | K | Relay (1.0) Calculated Property |
| Tc | 894.57 | K | Relay (1.0) Calculated Property |
| Tfus | 322.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.137 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.02; 1071.81] | J/mol×K | [914.29; 1122.24] | 
|
| Cp,gas | 997.02 | J/mol×K | 914.29 | Joback Calculated Property |
| Cp,gas | 1012.54 | J/mol×K | 948.95 | Joback Calculated Property |
| Cp,gas | 1026.79 | J/mol×K | 983.61 | Joback Calculated Property |
| Cp,gas | 1039.81 | J/mol×K | 1018.27 | Joback Calculated Property |
| Cp,gas | 1051.64 | J/mol×K | 1052.92 | Joback Calculated Property |
| Cp,gas | 1062.30 | J/mol×K | 1087.58 | Joback Calculated Property |
| Cp,gas | 1071.81 | J/mol×K | 1122.24 | Joback Calculated Property |
Similar Compounds
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Sources
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