![Iso-octyl[2-(3-methylpyrazyl)] mercapto acetate](/cid/15-010-3/Iso-octyl-2-3-methylpyrazyl-mercapto-acetate.png "Iso-octyl[2-(3-methylpyrazyl)] mercapto acetate")
- InChI
- InChI=1S/C15H24N2O2S/c1-12(2)7-5-4-6-10-19-14(18)11-20-15-13(3)16-8-9-17-15/h8-9,12H,4-7,10-11H2,1-3H3
- InChI Key
- VIEVDFPVUOANRV-UHFFFAOYSA-N
- Formula
- C15H24N2O2S
- SMILES
- Cc1nccnc1SCC(=O)OCCCCCC(C)C
- Molecular Weight1
- 296.43
- CAS
- 131346-17-3
- 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 | 0.7556 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.11 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -376.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.637 | Crippen Calculated Property | |
| McVol | 242.200 | ml/mol | McGowan Calculated Property |
| Pc | 1749.73 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 617.86 | K | Relay (1.0) Calculated Property |
| Tc | 833.62 | K | Relay (1.0) Calculated Property |
| Tfus | 293.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.876 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Iso-octyl[2-(3-methylpyrazyl)] mercapto acetate.
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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