- InChI
- InChI=1S/C21H33NO3/c1-4-5-6-7-8-9-10-13-16-25-20(23)17-22(3)21(24)19-15-12-11-14-18(19)2/h11-12,14-15H,4-10,13,16-17H2,1-3H3
- InChI Key
- XFQNUNJNDJIJRC-UHFFFAOYSA-N
- Formula
- C21H33NO3
- SMILES
-
CCCCCCCCCCOC(=O)CN(C)C(=O)c1cc
ccc1C - Molecular Weight1
- 347.49
- 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 | 0.9825 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.751 | Crippen Calculated Property | |
| McVol | 301.980 | ml/mol | McGowan Calculated Property |
| Pc | 1265.55 | kPa | Joback Calculated Property |
| Inp | 2644.00 | NIST | |
| Tboil | 648.88 | K | Relay (1.0) Calculated Property |
| Tc | 864.31 | K | Relay (1.0) Calculated Property |
| Tfus | 311.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.02; 1035.16] | J/mol×K | [854.14; 1053.99] | 
|
| Cp,gas | 950.02 | J/mol×K | 854.14 | Joback Calculated Property |
| Cp,gas | 966.86 | J/mol×K | 887.45 | Joback Calculated Property |
| Cp,gas | 982.58 | J/mol×K | 920.76 | Joback Calculated Property |
| Cp,gas | 997.22 | J/mol×K | 954.06 | Joback Calculated Property |
| Cp,gas | 1010.84 | J/mol×K | 987.37 | Joback Calculated Property |
| Cp,gas | 1023.47 | J/mol×K | 1020.68 | Joback Calculated Property |
| Cp,gas | 1035.16 | J/mol×K | 1053.99 | Joback Calculated Property |
Similar Compounds
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Sources
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