- InChI
- InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3
- InChI Key
- KGGVGTQEGGOZRN-UHFFFAOYSA-N
- Formula
- C4H9NO
- SMILES
- CCCC=NO
- Molecular Weight1
- 87.12
- CAS
- 110-69-0
- Other Names
-
- Butanaldoxime
- Butylaldoxime
- Butyraldehyde, oxime
- Butyraldoxime
- CH3(CH2)2CH=NOH
- Exkin 1
- Exkin No. 1 anti-skinning agent
- NSC 1487
- Skino No. 1
- Troykyd anti-skin bto
- UN 2840
- USAF AM-6
- n-Butylaldoxime
- n-Butyraldehyde, oxime
- n-Butyraldoxime
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5850 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.11 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -86.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.50; 9.93] | eV |
|
| IE | 9.50 | eV | NIST |
| IE | 9.93 | eV | NIST |
| log10WS | -0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.246 | Crippen Calculated Property | |
| McVol | 78.770 | ml/mol | McGowan Calculated Property |
| Pc | 3834.03 | kPa | Joback Calculated Property |
| Inp | 793.00 | NIST | |
| Tboil | 410.86 | K | Relay (1.0) Calculated Property |
| Tc | 610.08 | K | Relay (1.0) Calculated Property |
| Tfus | 243.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 55.80 | kJ/mol | 328.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 425.20 | K | 95.30 | NIST |
Similar Compounds
Find more compounds similar to Butanal, oxime.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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