- InChI
- InChI=1S/C25H49NO4/c1-4-6-8-10-11-12-13-14-15-16-17-19-20-29-24(27)22-23(3)26-25(28)30-21-18-9-7-5-2/h23H,4-22H2,1-3H3,(H,26,28)
- InChI Key
- QXMFHWOCNDKWDA-UHFFFAOYSA-N
- Formula
- C25H49NO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CC(C)N=C(O
)OCCCCCC - Molecular Weight1
- 427.66
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 1.3653 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1191.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 138.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.520 | Crippen Calculated Property | |
| McVol | 387.970 | ml/mol | McGowan Calculated Property |
| Pc | 776.34 | kPa | Joback Calculated Property |
| Inp | [2882.00; 2882.00] |
|
|
| Inp | 2882.00 | NIST | |
| Inp | 2882.00 | NIST | |
| Tboil | 640.80 | K | Relay (1.0) Calculated Property |
| Tc | 851.08 | K | Relay (1.0) Calculated Property |
| Tfus | 334.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.471 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, tetradecyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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