- InChI
- InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
- InChI Key
- CAJIGINSTLKQMM-UHFFFAOYSA-N
- Formula
- C16H26N2O3
- SMILES
- CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
- Molecular Weight1
- 294.39
- CAS
- 86-43-1
- Other Names
-
- 4-Amino-2-propoxybenzoic acid, 2-(diethylamino)ethyl ester
- Blockain
- 2-Diethylaminoethyl 4-amino-2-propoxybenzoate
- 2-Diethylaminoethyl 4-amino-2-propoxybenzoic acid ester
- 2'-Diethylaminoethyl 2-propoxy-4-aminobenzoate
- Pravocaine
- Propoxycaine
- Ranocaine
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.9010 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.556 | Crippen Calculated Property | |
| McVol | 245.810 | ml/mol | McGowan Calculated Property |
| Pc | 1781.84 | kPa | Joback Calculated Property |
| Tboil | 652.66 | K | Relay (1.0) Calculated Property |
| Tc | 833.36 | K | Relay (1.0) Calculated Property |
| Tfus | 294.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.96; 816.62] | J/mol×K | [785.80; 988.00] | 
|
| Cp,gas | 737.96 | J/mol×K | 785.80 | Joback Calculated Property |
| Cp,gas | 753.56 | J/mol×K | 819.50 | Joback Calculated Property |
| Cp,gas | 768.14 | J/mol×K | 853.20 | Joback Calculated Property |
| Cp,gas | 781.72 | J/mol×K | 886.90 | Joback Calculated Property |
| Cp,gas | 794.31 | J/mol×K | 920.60 | Joback Calculated Property |
| Cp,gas | 805.94 | J/mol×K | 954.30 | Joback Calculated Property |
| Cp,gas | 816.62 | J/mol×K | 988.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-amino-2-propoxy-, 2-(diethylamino)ethyl ester.
Sources
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