- InChI
- InChI=1S/C11H12O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-9H,1H2,2H3
- InChI Key
- ZNWBXXLWBPWQAT-UHFFFAOYSA-N
- Formula
- C11H12O2
- SMILES
- C=CC(C)OC(=O)c1ccccc1
- Molecular Weight1
- 176.21
- CAS
- 65001-62-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | 5.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.45 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.418 | Crippen Calculated Property | |
| McVol | 145.230 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Tboil | 550.29 | K | Joback Calculated Property |
| Tc | 768.70 | K | Joback Calculated Property |
| Tfus | 295.55 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.26; 399.69] | J/mol×K | [550.29; 768.70] | 
|
| Cp,gas | 327.26 | J/mol×K | 550.29 | Joback Calculated Property |
| Cp,gas | 341.42 | J/mol×K | 586.69 | Joback Calculated Property |
| Cp,gas | 354.70 | J/mol×K | 623.09 | Joback Calculated Property |
| Cp,gas | 367.14 | J/mol×K | 659.49 | Joback Calculated Property |
| Cp,gas | 378.77 | J/mol×K | 695.90 | Joback Calculated Property |
| Cp,gas | 389.61 | J/mol×K | 732.30 | Joback Calculated Property |
| Cp,gas | 399.69 | J/mol×K | 768.70 | Joback Calculated Property |
| η | [0.0001934; 0.0028634] | Pa×s | [295.55; 550.29] |
|
| η | 0.0028634 | Pa×s | 295.55 | Joback Calculated Property |
| η | 0.0013782 | Pa×s | 338.01 | Joback Calculated Property |
| η | 0.0007809 | Pa×s | 380.46 | Joback Calculated Property |
| η | 0.0004960 | Pa×s | 422.92 | Joback Calculated Property |
| η | 0.0003422 | Pa×s | 465.38 | Joback Calculated Property |
| η | 0.0002512 | Pa×s | 507.83 | Joback Calculated Property |
| η | 0.0001934 | Pa×s | 550.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-ol, benzoate.
Sources
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