- InChI
- InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17)
- InChI Key
- OYCGKECKIVYHTN-UHFFFAOYSA-N
- Formula
- C14H20N2O
- SMILES
- Cc1cccc(C)c1NC(=O)CN1CCCC1
- Molecular Weight1
- 232.32
- CAS
- 2210-77-7
- Other Names
-
- 1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-
- 1-Pyrrolidineaceto-2',6'-xylidide
- 1-Pyrrolidinoaceto-2',6'-xylidide
- Dynacaine
- EN-1010
- Endocaine
- NSC-52644
- 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 | 0.6466 | Relay (... Calculated Property | |
| ΔfG° | 167.80 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -147.21 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.54 | kJ/mol | Relay (... Calculated Property |
| IE | 7.52 | eV | Relay (... Calculated Property |
| log10WS | -1.47 | Relay (... Calculated Property | |
| logPoct/wat | 2.338 | Crippen Calculated Property | |
| McVol | 195.030 | ml/mol | McGowan Calculated Property |
| Pc | 2654.08 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1968.00; 1968.00] |
|
|
| Inp | 1968.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Tboil | 599.22 | K | Relay (... Calculated Property |
| Tc | 857.86 | K | Relay (... Calculated Property |
| Tfus | 392.37 | K | Relay (... Calculated Property |
| Vc | 0.700 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrocaine.
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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