- InChI
- InChI=1S/C10H19NO3/c1-9(12)11-7-5-3-4-6-8-14-10(2)13/h3-8H2,1-2H3,(H,11,12)
- InChI Key
- OKYQCIOPPUJZLL-UHFFFAOYSA-N
- Formula
- C10H19NO3
- SMILES
- CC(=O)OCCCCCCN=C(C)O
- Molecular Weight1
- 201.26
- 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 | 0.8246 | Relay (... Calculated Property | |
| ΔfG° | -251.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -695.81 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 100.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.78 | eV | Relay (... Calculated Property |
| log10WS | -1.60 | Relay (... Calculated Property | |
| logPoct/wat | 2.086 | Crippen Calculated Property | |
| McVol | 170.750 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | 1692.00 | NIST | |
| Tboil | 570.29 | K | Relay (... Calculated Property |
| Tc | 732.91 | K | Relay (... Calculated Property |
| Tfus | 341.67 | K | Relay (... Calculated Property |
| Vc | 0.643 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 6-Amino-1-hexanol, N,O-diacetyl-.
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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