- InChI
- InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-
- InChI Key
- IEPWIPZLLIOZLU-ARJAWSKDSA-N
- Formula
- C13H16O3
- SMILES
- CCC=CCCOC(=O)c1ccccc1O
- Molecular Weight1
- 220.26
- CAS
- 65405-77-8
- Other Names
-
- Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-
- Salicylic acid, 3-hexen-1-yl ester
- «beta»,«gamma»-cis-Hexenyl salicylate
- Salicylic acid, 3-hexenyl ester, (Z)-
- (3Z)-3-Hexenyl salicylate
- (Z)-3-Hexenyl salicylate
- 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).
- 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° | -137.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 2.905 | Crippen Calculated Property | |
| McVol | 179.280 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | [1629.10; 1670.00] |
|
|
| Inp | 1670.00 | NIST | |
| Inp | 1637.70 | NIST | |
| Inp | 1636.10 | NIST | |
| Inp | 1651.80 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1640.80 | NIST | |
| Inp | 1649.40 | NIST | |
| Inp | 1654.55 | NIST | |
| Inp | 1643.70 | NIST | |
| Inp | 1629.10 | NIST | |
| Inp | 1644.30 | NIST | |
| Inp | 1643.70 | NIST | |
| Inp | 1647.80 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | 1643.70 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1640.80 | NIST | |
| I | [2274.00; 2285.00] |
|
|
| I | 2274.00 | NIST | |
| I | 2285.00 | NIST | |
| I | 2274.00 | NIST | |
| Tboil | 684.59 | K | Joback Calculated Property |
| Tc | 905.02 | K | Joback Calculated Property |
| Tfus | 441.49 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.20; 546.22] | J/mol×K | [684.59; 905.02] |
|
| Cp,gas | 476.20 | J/mol×K | 684.59 | Joback Calculated Property |
| Cp,gas | 489.66 | J/mol×K | 721.33 | Joback Calculated Property |
| Cp,gas | 502.29 | J/mol×K | 758.07 | Joback Calculated Property |
| Cp,gas | 514.17 | J/mol×K | 794.80 | Joback Calculated Property |
| Cp,gas | 525.40 | J/mol×K | 831.54 | Joback Calculated Property |
| Cp,gas | 536.06 | J/mol×K | 868.28 | Joback Calculated Property |
| Cp,gas | 546.22 | J/mol×K | 905.02 | Joback Calculated Property |
| η | [0.0000140; 0.0004917] | Pa×s | [441.49; 684.59] |
|
| η | 0.0004917 | Pa×s | 441.49 | Joback Calculated Property |
| η | 0.0002117 | Pa×s | 482.01 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 522.52 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 563.04 | Joback Calculated Property |
| η | 0.0000333 | Pa×s | 603.56 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 644.07 | Joback Calculated Property |
| η | 0.0000140 | Pa×s | 684.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-3-Hexenyl salicylate.
Sources
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