- InChI
- InChI=1S/C7H12ClNO2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-6H2
- InChI Key
- RHPBOUGBOGWTDW-UHFFFAOYSA-N
- Formula
- C7H12ClNO2
- SMILES
- O=C(CCCl)N1CCOCC1
- Molecular Weight1
- 177.63
- 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 | 0.4944 | Relay (... Calculated Property | |
| ΔfG° | -108.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -388.67 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 66.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.48 | eV | Relay (... Calculated Property |
| log10WS | 0.57 | Relay (... Calculated Property | |
| logPoct/wat | 0.474 | Crippen Calculated Property | |
| McVol | 128.290 | ml/mol | McGowan Calculated Property |
| Pc | 3438.14 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1440.00 | NIST | |
| Tboil | 544.11 | K | Relay (... Calculated Property |
| Tc | 766.78 | K | Relay (... Calculated Property |
| Tfus | 320.42 | K | Relay (... Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, morpholide.
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
- McGowan Method
- NIST Webbook
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