- InChI
- InChI=1S/C18H35NO4/c1-5-8-10-12-22-17(20)13-15(4)19-18(21)23-14-16(7-3)11-9-6-2/h15-16H,5-14H2,1-4H3,(H,19,21)
- InChI Key
- MZSJBCCMMZHEFQ-UHFFFAOYSA-N
- Formula
- C18H35NO4
- SMILES
-
CCCCCOC(=O)CC(C)N=C(O)OCC(CC)C
CCC - Molecular Weight1
- 329.47
- 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 | 1.0593 | Relay (... Calculated Property | |
| ΔfG° | -290.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1067.01 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.74 | kJ/mol | Relay (... Calculated Property |
| IE | 9.18 | eV | Relay (... Calculated Property |
| log10WS | -3.98 | Relay (... Calculated Property | |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 289.340 | ml/mol | McGowan Calculated Property |
| Pc | 1181.71 | kPa | Joback Calculated Property |
| Inp | [2216.00; 2216.00] |
|
|
| Inp | 2216.00 | NIST | |
| Inp | 2216.00 | NIST | |
| Tboil | 593.08 | K | Relay (... Calculated Property |
| Tc | 792.68 | K | Relay (... Calculated Property |
| Tfus | 268.65 | K | Relay (... Calculated Property |
| Vc | 1.052 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, pentyl 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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