- InChI
- InChI=1S/C23H45NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-22(25)21-24(3)23(26)27-5-2/h4-21H2,1-3H3
- InChI Key
- PBRDSJAWLZBCRZ-UHFFFAOYSA-N
- Formula
- C23H45NO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(
=O)OCC - Molecular Weight1
- 399.61
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -214.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -940.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.72 | Crippen Calculated Property | |
| logPoct/wat | 6.489 | Crippen Calculated Property | |
| McVol | 359.790 | ml/mol | McGowan Calculated Property |
| Pc | 898.56 | kPa | Joback Calculated Property |
| Inp | 2547.00 | NIST | |
| Tboil | 890.66 | K | Joback Calculated Property |
| Tc | 1091.36 | K | Joback Calculated Property |
| Tfus | 525.76 | K | Joback Calculated Property |
| Vc | 1.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1198.90; 1298.80] | J/mol×K | [890.66; 1091.36] | 
|
| Cp,gas | 1198.90 | J/mol×K | 890.66 | Joback Calculated Property |
| Cp,gas | 1218.80 | J/mol×K | 924.11 | Joback Calculated Property |
| Cp,gas | 1237.34 | J/mol×K | 957.56 | Joback Calculated Property |
| Cp,gas | 1254.57 | J/mol×K | 991.01 | Joback Calculated Property |
| Cp,gas | 1270.54 | J/mol×K | 1024.46 | Joback Calculated Property |
| Cp,gas | 1285.26 | J/mol×K | 1057.91 | Joback Calculated Property |
| Cp,gas | 1298.80 | J/mol×K | 1091.36 | Joback Calculated Property |
Similar Compounds
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Sources
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