- InChI
- InChI=1S/C17H24O2/c1-4-6-7-8-9-14(3)19-17(18)16-12-10-15(5-2)11-13-16/h8-14H,4-7H2,1-3H3/b9-8+
- InChI Key
- YUYNJMYTXVXSKB-CMDGGOBGSA-N
- Formula
- C17H24O2
- SMILES
- CCCCC=CC(C)OC(=O)c1ccc(CC)cc1
- Molecular Weight1
- 260.37
- 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° | 38.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.41 | Crippen Calculated Property | |
| logPoct/wat | 4.541 | Crippen Calculated Property | |
| McVol | 229.770 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Inp | [1917.20; 1917.20] |
|
|
| Inp | 1917.20 | NIST | |
| Inp | 1917.20 | NIST | |
| Tboil | 700.03 | K | Joback Calculated Property |
| Tc | 904.10 | K | Joback Calculated Property |
| Tfus | 372.37 | K | Joback Calculated Property |
| Vc | 0.877 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.39; 721.14] | J/mol×K | [700.03; 904.10] |
|
| Cp,gas | 632.39 | J/mol×K | 700.03 | Joback Calculated Property |
| Cp,gas | 649.57 | J/mol×K | 734.04 | Joback Calculated Property |
| Cp,gas | 665.75 | J/mol×K | 768.05 | Joback Calculated Property |
| Cp,gas | 680.95 | J/mol×K | 802.06 | Joback Calculated Property |
| Cp,gas | 695.22 | J/mol×K | 836.07 | Joback Calculated Property |
| Cp,gas | 708.61 | J/mol×K | 870.08 | Joback Calculated Property |
| Cp,gas | 721.14 | J/mol×K | 904.10 | Joback Calculated Property |
| η | [0.0000862; 0.0015056] | Pa×s | [372.37; 700.03] |
|
| η | 0.0015056 | Pa×s | 372.37 | Joback Calculated Property |
| η | 0.0006890 | Pa×s | 426.98 | Joback Calculated Property |
| η | 0.0003765 | Pa×s | 481.59 | Joback Calculated Property |
| η | 0.0002327 | Pa×s | 536.20 | Joback Calculated Property |
| η | 0.0001572 | Pa×s | 590.81 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 645.42 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 700.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, oct-3-en-2-yl ester.
Sources
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