- InChI
- InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
- InChI Key
- OFAIGZWCDGNZGT-UHFFFAOYSA-N
- Formula
- C18H27NO2
- SMILES
-
CCN(CC)CCOC(=O)C1(c2ccccc2)CCC
C1 - Molecular Weight1
- 289.41
- CAS
- 77-22-5
- Other Names
-
- Caramiphen
- Parpanil
- Pentaphen (pharmaceutical)
- Parpanit
- Pentaphen
- 1-Phenylcyclopentanecarboxylic acid 2-(diethylamino)ethyl ester
- 2-Diethylaminoethyl 1-phenylcyclopentane-1-carboxylate
- 2-Dimethylaminoethyl 1-phenylcyclopentane-1-carboxylate
- 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° | 121.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 247.280 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | [1971.00; 2005.00] |
|
|
| Inp | 2005.00 | NIST | |
| Inp | 1971.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Inp | 1971.00 | NIST | |
| Tboil | 742.17 | K | Joback Calculated Property |
| Tc | 959.19 | K | Joback Calculated Property |
| Tfus | 458.47 | K | Joback Calculated Property |
| Vc | 0.916 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.39; 847.16] | J/mol×K | [742.17; 959.19] |
|
| Cp,gas | 739.39 | J/mol×K | 742.17 | Joback Calculated Property |
| Cp,gas | 759.25 | J/mol×K | 778.34 | Joback Calculated Property |
| Cp,gas | 778.16 | J/mol×K | 814.51 | Joback Calculated Property |
| Cp,gas | 796.24 | J/mol×K | 850.68 | Joback Calculated Property |
| Cp,gas | 813.67 | J/mol×K | 886.85 | Joback Calculated Property |
| Cp,gas | 830.59 | J/mol×K | 923.02 | Joback Calculated Property |
| Cp,gas | 847.16 | J/mol×K | 959.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester.
Sources
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