- InChI
- InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
- InChI Key
- UADWUILHKRXHMM-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
- CCCCC(CC)COC(=O)c1ccccc1
- Molecular Weight1
- 250.33
- CAS
- 5444-75-7
- Other Names
-
- 2-Ethyl-1-hexanol benzoate
- 2-ethylhexyl benzoate
- Ethylhexyl 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- D*i : Self diffusion coefficient (m2/s).
- 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° | -48.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.03 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 4.060 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1935.54 | kPa | Joback Calculated Property |
| Inp | [1674.00; 1735.00] |
|
|
| Inp | 1735.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1674.00 | NIST | |
| I | [2598.00; 2598.00] |
|
|
| I | 2598.00 | NIST | |
| I | 2598.00 | NIST | |
| Tboil | 645.13 | K | Joback Calculated Property |
| Tc | 846.21 | K | Joback Calculated Property |
| Tfus | 342.39 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.83; 635.49] | J/mol×K | [645.13; 846.21] |
|
| Cp,gas | 546.83 | J/mol×K | 645.13 | Joback Calculated Property |
| Cp,gas | 563.95 | J/mol×K | 678.64 | Joback Calculated Property |
| Cp,gas | 580.10 | J/mol×K | 712.16 | Joback Calculated Property |
| Cp,gas | 595.30 | J/mol×K | 745.67 | Joback Calculated Property |
| Cp,gas | 609.57 | J/mol×K | 779.18 | Joback Calculated Property |
| Cp,gas | 622.96 | J/mol×K | 812.70 | Joback Calculated Property |
| Cp,gas | 635.49 | J/mol×K | 846.21 | Joback Calculated Property |
| η | [0.0001267; 0.0024547] | Pa×s | [342.39; 645.13] |
|
| η | 0.0024547 | Pa×s | 342.39 | Joback Calculated Property |
| η | 0.0010907 | Pa×s | 392.85 | Joback Calculated Property |
| η | 0.0005830 | Pa×s | 443.30 | Joback Calculated Property |
| η | 0.0003541 | Pa×s | 493.76 | Joback Calculated Property |
| η | 0.0002360 | Pa×s | 544.22 | Joback Calculated Property |
| η | 0.0001684 | Pa×s | 594.67 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 645.13 | Joback Calculated Property |
| ρl | [910.61; 981.12] | kg/m3 | [273.15; 363.15] |
|
| ρl | 981.12 | kg/m3 | 273.15 | Tempera... |
| ρl | 977.18 | kg/m3 | 278.15 | Tempera... |
| ρl | 973.25 | kg/m3 | 283.15 | Tempera... |
| ρl | 969.32 | kg/m3 | 288.15 | Tempera... |
| ρl | 965.40 | kg/m3 | 293.15 | Tempera... |
| ρl | 961.49 | kg/m3 | 298.15 | Tempera... |
| ρl | 957.57 | kg/m3 | 303.15 | Tempera... |
| ρl | 949.73 | kg/m3 | 313.15 | Tempera... |
| ρl | 941.92 | kg/m3 | 323.15 | Tempera... |
| ρl | 934.11 | kg/m3 | 333.15 | Tempera... |
| ρl | 926.28 | kg/m3 | 343.15 | Tempera... |
| ρl | 918.45 | kg/m3 | 353.15 | Tempera... |
| ρl | 910.61 | kg/m3 | 363.15 | Tempera... |
| D*i | [2.18e-05; 6.38e-04] | m2/s | [258.42; 352.41] |
|
| D*i | 2.26e-05 | m2/s | 258.42 | Viscous... |
| D*i | 2.18e-05 | m2/s | 258.44 | Viscous... |
| D*i | 2.21e-05 | m2/s | 258.46 | Viscous... |
| D*i | 3.30e-05 | m2/s | 264.21 | Viscous... |
| D*i | 3.31e-05 | m2/s | 264.21 | Viscous... |
| D*i | 5.57e-05 | m2/s | 273.42 | Viscous... |
| D*i | 5.61e-05 | m2/s | 273.50 | Viscous... |
| D*i | 5.67e-05 | m2/s | 273.67 | Viscous... |
| D*i | 7.32e-05 | m2/s | 278.40 | Viscous... |
| D*i | 7.24e-05 | m2/s | 278.43 | Viscous... |
| D*i | 7.27e-05 | m2/s | 278.45 | Viscous... |
| D*i | 7.33e-05 | m2/s | 278.50 | Viscous... |
| D*i | 1.10e-04 | m2/s | 288.41 | Viscous... |
| D*i | 1.11e-04 | m2/s | 288.46 | Viscous... |
| D*i | 1.34e-04 | m2/s | 293.37 | Viscous... |
| D*i | 1.35e-04 | m2/s | 293.38 | Viscous... |
| D*i | 1.63e-04 | m2/s | 298.06 | Viscous... |
| D*i | 1.64e-04 | m2/s | 298.09 | Viscous... |
| D*i | 1.65e-04 | m2/s | 298.14 | Viscous... |
| D*i | 1.60e-04 | m2/s | 298.27 | Viscous... |
| D*i | 1.60e-04 | m2/s | 298.29 | Viscous... |
| D*i | 2.25e-04 | m2/s | 307.92 | Viscous... |
| D*i | 2.26e-04 | m2/s | 308.07 | Viscous... |
| D*i | 2.22e-04 | m2/s | 308.26 | Viscous... |
| D*i | 2.21e-04 | m2/s | 308.30 | Viscous... |
| D*i | 2.54e-04 | m2/s | 313.05 | Viscous... |
| D*i | 2.54e-04 | m2/s | 313.06 | Viscous... |
| D*i | 2.91e-04 | m2/s | 317.99 | Viscous... |
| D*i | 2.92e-04 | m2/s | 318.06 | Viscous... |
| D*i | 3.74e-04 | m2/s | 327.81 | Viscous... |
| D*i | 3.74e-04 | m2/s | 327.87 | Viscous... |
| D*i | 4.18e-04 | m2/s | 332.77 | Viscous... |
| D*i | 4.18e-04 | m2/s | 332.80 | Viscous... |
| D*i | 4.22e-04 | m2/s | 333.30 | Viscous... |
| D*i | 4.72e-04 | m2/s | 337.81 | Viscous... |
| D*i | 4.71e-04 | m2/s | 337.81 | Viscous... |
| D*i | 5.84e-04 | m2/s | 347.49 | Viscous... |
| D*i | 5.82e-04 | m2/s | 347.52 | Viscous... |
| D*i | 6.38e-04 | m2/s | 352.18 | Viscous... |
| D*i | 6.36e-04 | m2/s | 352.33 | Viscous... |
| D*i | 6.36e-04 | m2/s | 352.41 | Viscous... |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-ethylhexyl ester.
Sources
- Crippen Method
- Crippen Method
- Viscous Calibration Liquids for Self-diffusion Measurements
- Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate
- Joback Method
- McGowan Method
- NIST Webbook
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