- InChI
- InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
- InChI Key
- VTRWMTJQBQJKQH-UHFFFAOYSA-N
- Formula
- C18H22N2O2S
- SMILES
-
COc1cccc(N(C)C(=S)Oc2cccc(C(C)
(C)C)c2)n1 - Molecular Weight1
- 330.44
- CAS
- 88678-67-5
- Other Names
-
- Carbamothioic acid, N-(6-methoxy-2-pyridinyl)-N-methyl-, O-[3-(1,1-dimethylethyl)phenyl] ester
- 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 | 0.7248 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -174.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.188 | Crippen Calculated Property | |
| McVol | 260.710 | ml/mol | McGowan Calculated Property |
| Pc | 1650.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2426.00; 2436.00] |
|
|
| Inp | 2426.00 | NIST | |
| Inp | 2436.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Tboil | 637.46 | K | Relay (1.0) Calculated Property |
| Tc | 931.06 | K | Relay (1.0) Calculated Property |
| Tfus | 360.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.935 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to pyributicarb.
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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