![O-Ethyl S-[5-(diisopropylamino)-3-thiapentyl]methylphosphonothiolate](/cid/22-288-8/O-Ethyl-S-5-diisopropylamino-3-thiapentyl-methylphosphonothiolate.png "O-Ethyl S-[5-(diisopropylamino)-3-thiapentyl]methylphosphonothiolate")
- InChI
- InChI=1S/C13H30NO2PS2/c1-7-16-17(6,15)19-11-10-18-9-8-14(12(2)3)13(4)5/h12-13H,7-11H2,1-6H3
- InChI Key
- HUQNCHFSYYONGE-UHFFFAOYSA-N
- Formula
- C13H30NO2PS2
- SMILES
- CCOP(C)(=O)SCCSCCN(C(C)C)C(C)C
- Molecular Weight1
- 327.49
- 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 | 0.5921 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -542.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 86.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.431 | Crippen Calculated Property | |
| McVol | 268.910 | ml/mol | McGowan Calculated Property |
| Pc | 1727.59 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2132.00; 2132.00] |
|
|
| Inp | 2132.00 | NIST | |
| Inp | 2132.00 | NIST | |
| Tboil | 626.37 | K | Relay (1.0) Calculated Property |
| Tc | 780.76 | K | Relay (1.0) Calculated Property |
| Tfus | 245.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to O-Ethyl S-[5-(diisopropylamino)-3-thiapentyl]methylphosphonothiolate.
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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