- InChI
- InChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
- InChI Key
- CKWHSYRZDLWQFV-UHFFFAOYSA-N
- Formula
- C16H25NO2
- SMILES
- CCC(C(=O)OCCN(CC)CC)c1ccccc1
- Molecular Weight1
- 263.38
- CAS
- 14007-64-8
- Other Names
-
- Benzeneacetic acid, «alpha»-ethyl-, 2-(diethylamino)ethyl ester
- Butethamate
- 2-(Diethylamino)ethyl 2-phenylbutyrate
- HH-105
- 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).
- 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 | 0.6484 | Relay (1.0) Calculated Property | |
| ΔfG° | 70.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.065 | Crippen Calculated Property | |
| McVol | 229.960 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | [1742.00; 1755.00] |
|
|
| Inp | 1755.00 | NIST | |
| Inp | 1742.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1742.00 | NIST | |
| Inp | 1755.00 | NIST | |
| Tboil | 582.22 | K | Relay (1.0) Calculated Property |
| Tc | 779.14 | K | Relay (1.0) Calculated Property |
| Tfus | 280.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.819 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.42; 731.46] | J/mol×K | [680.45; 877.00] |
|
| Cp,gas | 640.42 | J/mol×K | 680.45 | Joback Calculated Property |
| Cp,gas | 658.06 | J/mol×K | 713.21 | Joback Calculated Property |
| Cp,gas | 674.67 | J/mol×K | 745.97 | Joback Calculated Property |
| Cp,gas | 690.27 | J/mol×K | 778.73 | Joback Calculated Property |
| Cp,gas | 704.92 | J/mol×K | 811.49 | Joback Calculated Property |
| Cp,gas | 718.63 | J/mol×K | 844.24 | Joback Calculated Property |
| Cp,gas | 731.46 | J/mol×K | 877.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butetamate.
Sources
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