- InChI
- InChI=1S/C18H28O2/c1-4-7-11-15(5-2)14-20-18(19)17(6-3)16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3
- InChI Key
- PSYOOKKRCIYPNY-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
- CCCCC(CC)COC(=O)C(CC)c1ccccc1
- Molecular Weight1
- 276.41
- 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° | -25.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.940 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1534.26 | kPa | Joback Calculated Property |
| Inp | [1840.00; 1840.00] |
|
|
| Inp | 1840.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Tboil | 713.33 | K | Joback Calculated Property |
| Tc | 911.04 | K | Joback Calculated Property |
| Tfus | 361.20 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.87; 806.51] | J/mol×K | [713.33; 911.04] |
|
| Cp,gas | 711.87 | J/mol×K | 713.33 | Joback Calculated Property |
| Cp,gas | 730.22 | J/mol×K | 746.28 | Joback Calculated Property |
| Cp,gas | 747.50 | J/mol×K | 779.23 | Joback Calculated Property |
| Cp,gas | 763.73 | J/mol×K | 812.18 | Joback Calculated Property |
| Cp,gas | 778.95 | J/mol×K | 845.13 | Joback Calculated Property |
| Cp,gas | 793.20 | J/mol×K | 878.09 | Joback Calculated Property |
| Cp,gas | 806.51 | J/mol×K | 911.04 | Joback Calculated Property |
| η | [0.0000818; 0.0024352] | Pa×s | [361.20; 713.33] |
|
| η | 0.0024352 | Pa×s | 361.20 | Joback Calculated Property |
| η | 0.0009318 | Pa×s | 419.89 | Joback Calculated Property |
| η | 0.0004513 | Pa×s | 478.58 | Joback Calculated Property |
| η | 0.0002560 | Pa×s | 537.27 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 595.95 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 654.64 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 713.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 2-ethylhexyl ester.
Sources
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