- InChI
- InChI=1S/C26H37NO5/c1-5-32-26(30)22(15-14-18-10-7-6-8-11-18)27(3)17(2)24(28)23-20-13-9-12-19(20)16-21(23)25(29)31-4/h6-8,10-11,17,19-23H,5,9,12-16H2,1-4H3/t17-,19-,20-,21+,22-,23?/m1/s1
- InChI Key
- MNFNVIQWIQPMIT-XGKJGUGDSA-N
- Formula
- C26H37NO5
- SMILES
-
CCOC(=O)C(CCc1ccccc1)N(C)C(C)C
(=O)C1C(C(=O)OC)CC2CCCC21 - Molecular Weight1
- 443.58
- 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° | -128.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -796.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 3.666 | Crippen Calculated Property | |
| McVol | 358.150 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | [2880.00; 2880.00] |
|
|
| Inp | 2880.00 | NIST | |
| Inp | 2880.00 | NIST | |
| Tboil | 1051.65 | K | Joback Calculated Property |
| Tc | 1288.75 | K | Joback Calculated Property |
| Tfus | 626.28 | K | Joback Calculated Property |
| Vc | 1.339 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1284.36; 1355.71] | J/mol×K | [1051.65; 1288.75] |
|
| Cp,gas | 1284.36 | J/mol×K | 1051.65 | Joback Calculated Property |
| Cp,gas | 1299.76 | J/mol×K | 1091.17 | Joback Calculated Property |
| Cp,gas | 1313.61 | J/mol×K | 1130.68 | Joback Calculated Property |
| Cp,gas | 1326.02 | J/mol×K | 1170.20 | Joback Calculated Property |
| Cp,gas | 1337.09 | J/mol×K | 1209.72 | Joback Calculated Property |
| Cp,gas | 1346.95 | J/mol×K | 1249.23 | Joback Calculated Property |
| Cp,gas | 1355.71 | J/mol×K | 1288.75 | Joback Calculated Property |
Similar Compounds
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Sources
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