- InChI
- InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
- InChI Key
- VDANGULDQQJODZ-UHFFFAOYSA-N
- Formula
- C13H19ClN2O2
- SMILES
- CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
- Molecular Weight1
- 270.75
- CAS
- 133-16-4
- Other Names
-
- Chloroprocaine
- 2-(Diethylamino)ethyl 4-amino-2-chlorobenzoate
- 2-Chloroprocaine
- Chlorprocaine
- Halestyn
- Piocaine
- Chloroprocain
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 83.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.421 | Crippen Calculated Property | |
| McVol | 209.910 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | [2229.00; 2229.00] |
|
|
| Inp | 2229.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Tboil | 732.17 | K | Joback Calculated Property |
| Tc | 944.85 | K | Joback Calculated Property |
| Tfus | 505.54 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.72; 641.82] | J/mol×K | [732.17; 944.85] |
|
| Cp,gas | 571.72 | J/mol×K | 732.17 | Joback Calculated Property |
| Cp,gas | 585.62 | J/mol×K | 767.62 | Joback Calculated Property |
| Cp,gas | 598.58 | J/mol×K | 803.06 | Joback Calculated Property |
| Cp,gas | 610.66 | J/mol×K | 838.51 | Joback Calculated Property |
| Cp,gas | 621.87 | J/mol×K | 873.96 | Joback Calculated Property |
| Cp,gas | 632.25 | J/mol×K | 909.41 | Joback Calculated Property |
| Cp,gas | 641.82 | J/mol×K | 944.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester.
Sources
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