- InChI
- InChI=1S/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3
- InChI Key
- VZELUFSMNDBCBO-UHFFFAOYSA-N
- Formula
- C8H10N2O2
- SMILES
- CN(C)C(=O)Oc1cccnc1
- Molecular Weight1
- 166.18
- CAS
- 51581-32-9
- Other Names
-
- 3-Pyridyl dimethylcarbamate
- Norpyridostigmine
- Carbamic acid, dimethyl-, 3-pyridyl ester
- Carbamic acid, dimethyl-, 3-pyridinyl ester (from Pyridostigmine bromide)
- 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 | 0.5452 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -206.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.142 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3527.76 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1515.00; 1515.00] |
|
|
| Inp | 1515.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Tboil | 528.51 | K | Relay (1.0) Calculated Property |
| Tc | 762.89 | K | Relay (1.0) Calculated Property |
| Tfus | 336.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, dimethyl-, 3-pyridinyl ester.
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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