- InChI
- InChI=1S/C19H27NO3/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/h1,3-4,7-8,16-17,20,22H,2,5-6,9-14H2
- InChI Key
- SRYIVCXVRSNTJR-UHFFFAOYSA-N
- Formula
- C19H27NO3
- SMILES
-
O=C(OC1CCNCC1)C(O)(c1ccccc1)C1
CCCCC1 - Molecular Weight1
- 317.42
- 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 | 0.8041 | Relay (1.0) Calculated Property | |
| ΔfG° | -9.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.750 | Crippen Calculated Property | |
| McVol | 256.380 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [2445.00; 2445.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2445.00 | NIST | |
| Tboil | 665.76 | K | Relay (1.0) Calculated Property |
| Tc | 947.19 | K | Relay (1.0) Calculated Property |
| Tfus | 390.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.906 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.56; 951.41] | J/mol×K | [913.69; 1156.80] |
|
| Cp,gas | 877.56 | J/mol×K | 913.69 | Joback Calculated Property |
| Cp,gas | 893.77 | J/mol×K | 954.21 | Joback Calculated Property |
| Cp,gas | 908.29 | J/mol×K | 994.73 | Joback Calculated Property |
| Cp,gas | 921.22 | J/mol×K | 1035.24 | Joback Calculated Property |
| Cp,gas | 932.65 | J/mol×K | 1075.76 | Joback Calculated Property |
| Cp,gas | 942.68 | J/mol×K | 1116.28 | Joback Calculated Property |
| Cp,gas | 951.41 | J/mol×K | 1156.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Piperidyl cyclohexylphenylglycolate.
Sources
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