- InChI
- InChI=1S/C12H14O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7,13H,8H2,1-2H3
- InChI Key
- MCAYDAOGSVHGEE-UHFFFAOYSA-N
- Formula
- C12H14O3
- SMILES
- CC(C)=CCOC(=O)c1ccccc1O
- Molecular Weight1
- 206.24
- CAS
- 68555-58-8
- Other Names
-
- 2-Buten-1-ol, 3-methyl-, salicylate
- 3-Methyl-2-butenyl salicylate
- Prenyl salicylate
- 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 | 0.6616 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.515 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 3131.49 | kPa | Joback Calculated Property |
| Tboil | 555.01 | K | Relay (1.0) Calculated Property |
| Tc | 777.28 | K | Relay (1.0) Calculated Property |
| Tfus | 289.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.51; 492.80] | J/mol×K | [661.59; 889.73] | 
|
| Cp,gas | 425.51 | J/mol×K | 661.59 | Joback Calculated Property |
| Cp,gas | 438.55 | J/mol×K | 699.61 | Joback Calculated Property |
| Cp,gas | 450.74 | J/mol×K | 737.64 | Joback Calculated Property |
| Cp,gas | 462.17 | J/mol×K | 775.66 | Joback Calculated Property |
| Cp,gas | 472.93 | J/mol×K | 813.69 | Joback Calculated Property |
| Cp,gas | 483.11 | J/mol×K | 851.71 | Joback Calculated Property |
| Cp,gas | 492.80 | J/mol×K | 889.73 | Joback Calculated Property |
Similar Compounds
![2-[(2-Hydroxybenzoyl)oxy]ethyl salicylate.](data:image/png;base64,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)
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