- InChI
- InChI=1S/C18H25NO3/c20-17(22-16-10-12-19-13-11-16)18(21,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,19,21H,4-5,8-13H2
- InChI Key
- MKFLPXGFTSXZKX-UHFFFAOYSA-N
- Formula
- C18H25NO3
- SMILES
-
O=C(OC1CCNCC1)C(O)(c1ccccc1)C1
CCCC1 - Molecular Weight1
- 303.40
- 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° | -6.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.60 | Crippen Calculated Property | |
| logPoct/wat | 2.360 | Crippen Calculated Property | |
| McVol | 242.290 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | 2351.00 | NIST | |
| Tboil | 886.54 | K | Joback Calculated Property |
| Tc | 1127.25 | K | Joback Calculated Property |
| Tfus | 577.75 | K | Joback Calculated Property |
| Vc | 0.878 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.85; 890.88] | J/mol×K | [886.54; 1127.25] | 
|
| Cp,gas | 814.85 | J/mol×K | 886.54 | Joback Calculated Property |
| Cp,gas | 831.03 | J/mol×K | 926.66 | Joback Calculated Property |
| Cp,gas | 845.66 | J/mol×K | 966.78 | Joback Calculated Property |
| Cp,gas | 858.86 | J/mol×K | 1006.90 | Joback Calculated Property |
| Cp,gas | 870.73 | J/mol×K | 1047.02 | Joback Calculated Property |
| Cp,gas | 881.37 | J/mol×K | 1087.13 | Joback Calculated Property |
| Cp,gas | 890.88 | J/mol×K | 1127.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Piperidyl cyclopentylphenylglycolate.
Sources
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