- InChI
- InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
- InChI Key
- KJZBZOFESQSBCV-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- OC1(Cc2ccccc2)CCNCC1
- Molecular Weight1
- 191.27
- CAS
- 51135-96-7
- Other Names
-
- 4-Piperidinol, 4-(phenylmethyl)-
- 4-Piperidinol, 4-benzyl-
- Piperidin-4-ol, 4-phenylmethyl-
- Piperidin-4-ol, 4-benzyl-
- 4-benzylpiperidin-4-ol
- 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).
- 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 | 0.6446 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.344 | Crippen Calculated Property | |
| McVol | 161.170 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 596.40 | K | Relay (1.0) Calculated Property |
| Tc | 814.75 | K | Relay (1.0) Calculated Property |
| Tfus | 371.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.11; 526.63] | J/mol×K | [661.16; 893.37] | 
|
| Cp,gas | 440.11 | J/mol×K | 661.16 | Joback Calculated Property |
| Cp,gas | 456.39 | J/mol×K | 699.86 | Joback Calculated Property |
| Cp,gas | 471.72 | J/mol×K | 738.56 | Joback Calculated Property |
| Cp,gas | 486.26 | J/mol×K | 777.26 | Joback Calculated Property |
| Cp,gas | 500.15 | J/mol×K | 815.96 | Joback Calculated Property |
| Cp,gas | 513.56 | J/mol×K | 854.67 | Joback Calculated Property |
| Cp,gas | 526.63 | J/mol×K | 893.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Benzyl-4-hydroxypiperidine.
Sources
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