- InChI
- InChI=1S/C13H16O2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h4-7,9-10,12H,2-3,8H2,1H3
- InChI Key
- PWEVLLZPVANVOL-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- C=CC(CCC)OC(=O)c1ccccc1
- Molecular Weight1
- 204.26
- 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.
- 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° | 22.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.198 | Crippen Calculated Property | |
| McVol | 173.410 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Inp | [1573.00; 1573.00] |
|
|
| Inp | 1573.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Tboil | 596.05 | K | Joback Calculated Property |
| Tc | 807.15 | K | Joback Calculated Property |
| Tfus | 318.09 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.73; 502.71] | J/mol×K | [596.05; 807.15] |
|
| Cp,gas | 422.73 | J/mol×K | 596.05 | Joback Calculated Property |
| Cp,gas | 438.31 | J/mol×K | 631.23 | Joback Calculated Property |
| Cp,gas | 452.94 | J/mol×K | 666.42 | Joback Calculated Property |
| Cp,gas | 466.67 | J/mol×K | 701.60 | Joback Calculated Property |
| Cp,gas | 479.52 | J/mol×K | 736.78 | Joback Calculated Property |
| Cp,gas | 491.52 | J/mol×K | 771.97 | Joback Calculated Property |
| Cp,gas | 502.71 | J/mol×K | 807.15 | Joback Calculated Property |
| η | [0.0001625; 0.0026678] | Pa×s | [318.09; 596.05] |
|
| η | 0.0026678 | Pa×s | 318.09 | Joback Calculated Property |
| η | 0.0012441 | Pa×s | 364.42 | Joback Calculated Property |
| η | 0.0006891 | Pa×s | 410.74 | Joback Calculated Property |
| η | 0.0004302 | Pa×s | 457.07 | Joback Calculated Property |
| η | 0.0002929 | Pa×s | 503.40 | Joback Calculated Property |
| η | 0.0002128 | Pa×s | 549.72 | Joback Calculated Property |
| η | 0.0001625 | Pa×s | 596.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexen-3-ol, benzoate.
Sources
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