- InChI
- InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3
- InChI Key
- BCOXBEHFBZOJJZ-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- CCC=CCCOC(=O)c1ccccc1
- Molecular Weight1
- 204.26
- CAS
- 72200-74-9
- Other Names
-
- 3-Hexen-1-ol, benzoate
- 3-Hexenyl-benzoate
- 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° | 17.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.200 | Crippen Calculated Property | |
| McVol | 173.410 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | [1546.00; 1579.00] |
|
|
| Inp | 1572.60 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1579.00 | NIST | |
| Inp | 1549.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1572.60 | NIST | |
| I | [2065.00; 2099.00] |
|
|
| I | 2065.00 | NIST | |
| I | 2099.00 | NIST | |
| I | 2099.00 | NIST | |
| Tboil | 603.97 | K | Joback Calculated Property |
| Tc | 815.36 | K | Joback Calculated Property |
| Tfus | 329.77 | K | Joback Calculated Property |
| Vc | 0.659 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.08; 501.68] | J/mol×K | [603.97; 815.36] |
|
| Cp,gas | 423.08 | J/mol×K | 603.97 | Joback Calculated Property |
| Cp,gas | 438.38 | J/mol×K | 639.20 | Joback Calculated Property |
| Cp,gas | 452.75 | J/mol×K | 674.43 | Joback Calculated Property |
| Cp,gas | 466.22 | J/mol×K | 709.66 | Joback Calculated Property |
| Cp,gas | 478.84 | J/mol×K | 744.90 | Joback Calculated Property |
| Cp,gas | 490.65 | J/mol×K | 780.13 | Joback Calculated Property |
| Cp,gas | 501.68 | J/mol×K | 815.36 | Joback Calculated Property |
| η | [0.0001434; 0.0019948] | Pa×s | [329.77; 603.97] |
|
| η | 0.0019948 | Pa×s | 329.77 | Joback Calculated Property |
| η | 0.0009848 | Pa×s | 375.47 | Joback Calculated Property |
| η | 0.0005667 | Pa×s | 421.17 | Joback Calculated Property |
| η | 0.0003633 | Pa×s | 466.87 | Joback Calculated Property |
| η | 0.0002522 | Pa×s | 512.57 | Joback Calculated Property |
| η | 0.0001858 | Pa×s | 558.27 | Joback Calculated Property |
| η | 0.0001434 | Pa×s | 603.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hex-3-enyl benzoate.
Sources
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