![Butyric acid, 2-[(isopropylideneamino)oxy]-](/cid/36-510-5/Butyric-acid-2-isopropylideneamino-oxy.png "Butyric acid, 2-[(isopropylideneamino)oxy]-")
- InChI
- InChI=1S/C7H13NO3/c1-4-6(7(9)10)11-8-5(2)3/h6H,4H2,1-3H3,(H,9,10)
- InChI Key
- BGKAMYFJKFYFAJ-UHFFFAOYSA-N
- Formula
- C7H13NO3
- SMILES
- CCC(ON=C(C)C)C(=O)O
- Molecular Weight1
- 159.18
- CAS
- 5001-37-6
- 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).
- 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 | 0.7138 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -472.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.262 | Crippen Calculated Property | |
| McVol | 128.480 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 489.67 | K | Relay (1.0) Calculated Property |
| Tc | 673.28 | K | Relay (1.0) Calculated Property |
| Tfus | 369.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-[(isopropylideneamino)oxy]-.
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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