- InChI
- InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
- InChI Key
- CNWMSZBRGJWEKC-UHFFFAOYSA-N
- Formula
- C19H21NO3
- SMILES
-
O=C(OC1CCNCC1)C(O)(c1ccccc1)c1
ccccc1 - Molecular Weight1
- 311.37
- CAS
- 25811-48-7
- Other Names
-
- 4-Piperidyl benzylate
- 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° | 78.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.218 | Crippen Calculated Property | |
| McVol | 243.480 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | 2466.00 | NIST | |
| Tboil | 920.82 | K | Joback Calculated Property |
| Tc | 1169.25 | K | Joback Calculated Property |
| Tfus | 604.54 | K | Joback Calculated Property |
| Vc | 0.885 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.80; 844.03] | J/mol×K | [920.82; 1169.25] | 
|
| Cp,gas | 781.80 | J/mol×K | 920.82 | Joback Calculated Property |
| Cp,gas | 795.34 | J/mol×K | 962.22 | Joback Calculated Property |
| Cp,gas | 807.47 | J/mol×K | 1003.63 | Joback Calculated Property |
| Cp,gas | 818.29 | J/mol×K | 1045.03 | Joback Calculated Property |
| Cp,gas | 827.92 | J/mol×K | 1086.44 | Joback Calculated Property |
| Cp,gas | 836.46 | J/mol×K | 1127.84 | Joback Calculated Property |
| Cp,gas | 844.03 | J/mol×K | 1169.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Piperidyl benzilate.
Sources
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