- InChI
- InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
- InChI Key
- BBTRQSDRTFFNSW-UHFFFAOYSA-N
- Formula
- C12H14O2
- SMILES
- C=C(C)CCOC(=O)c1ccccc1
- Molecular Weight1
- 190.24
- CAS
- 5205-12-9
- Other Names
-
- 3-Methyl-3-butenyl benzoate
- 3-Methylbut-3-enyl benzoate
- 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.
- I : 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° | 7.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 2.810 | Crippen Calculated Property | |
| McVol | 159.320 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Inp | [1412.00; 1422.00] |
|
|
| Inp | 1412.00 | NIST | |
| Inp | 1422.00 | NIST | |
| Inp | 1412.00 | NIST | |
| I | [1993.00; 1993.00] |
|
|
| I | 1993.00 | NIST | |
| I | 1993.00 | NIST | |
| Tboil | 573.49 | K | Joback Calculated Property |
| Tc | 787.44 | K | Joback Calculated Property |
| Tfus | 307.86 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.59; 449.51] | J/mol×K | [573.49; 787.44] |
|
| Cp,gas | 373.59 | J/mol×K | 573.49 | Joback Calculated Property |
| Cp,gas | 388.37 | J/mol×K | 609.15 | Joback Calculated Property |
| Cp,gas | 402.26 | J/mol×K | 644.81 | Joback Calculated Property |
| Cp,gas | 415.28 | J/mol×K | 680.46 | Joback Calculated Property |
| Cp,gas | 427.48 | J/mol×K | 716.12 | Joback Calculated Property |
| Cp,gas | 438.88 | J/mol×K | 751.78 | Joback Calculated Property |
| Cp,gas | 449.51 | J/mol×K | 787.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-1-ol, 3-methyl-, benzoate.
Sources
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