- InChI
- InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
- InChI Key
- CFJMRBQWBDQYMK-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)
CCCC1 - Molecular Weight1
- 333.46
- CAS
- 77-23-6
- Other Names
-
- Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester
- Atussil
- Ethanol, 2-[2-(diethylamino)ethoxy]-, 1-phenylcyclopentanecarboxylate (ester)
- Pentoxiverin
- Pentoxyverin
- Pentoxyverine
- U.C.B. 2543
- 1-Phenylcyclopentane-1-Carboxylic acid diethylaminoethoxyethyl ester
- 2-(Diethylaminoethoxy)ethyl 1-phenyl-1-cyclopentanecarboxylate
- 2-(Diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate
- 2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate
- 2-[2-(Diemthylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate
- Pentoxiverine
- 1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-
- 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° | 32.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 281.330 | ml/mol | McGowan Calculated Property |
| Pc | 1531.86 | kPa | Joback Calculated Property |
| Inp | [2230.00; 2275.00] |
|
|
| Inp | 2230.00 | NIST | |
| Inp | 2250.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Tboil | 810.35 | K | Joback Calculated Property |
| Tc | 1021.33 | K | Joback Calculated Property |
| Tfus | 503.24 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.41; 997.69] | J/mol×K | [810.35; 1021.33] |
|
| Cp,gas | 887.41 | J/mol×K | 810.35 | Joback Calculated Property |
| Cp,gas | 907.43 | J/mol×K | 845.51 | Joback Calculated Property |
| Cp,gas | 926.62 | J/mol×K | 880.68 | Joback Calculated Property |
| Cp,gas | 945.11 | J/mol×K | 915.84 | Joback Calculated Property |
| Cp,gas | 963.03 | J/mol×K | 951.00 | Joback Calculated Property |
| Cp,gas | 980.51 | J/mol×K | 986.16 | Joback Calculated Property |
| Cp,gas | 997.69 | J/mol×K | 1021.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbetapentane.
Sources
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