- InChI
- InChI=1S/C18H28O2/c1-2-3-4-5-6-10-16-20-18(19)15-11-14-17-12-8-7-9-13-17/h7-9,12-13H,2-6,10-11,14-16H2,1H3
- InChI Key
- IHOSELVFKBBYTI-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
- CCCCCCCCOC(=O)CCCc1ccccc1
- 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° | -20.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 4.913 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| Inp | [2089.00; 2089.00] |
|
|
| Inp | 2089.00 | NIST | |
| Inp | 2089.00 | NIST | |
| Tboil | 714.21 | K | Joback Calculated Property |
| Tc | 906.19 | K | Joback Calculated Property |
| Tfus | 391.20 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.91; 803.25] | J/mol×K | [714.21; 906.19] |
|
| Cp,gas | 710.91 | J/mol×K | 714.21 | Joback Calculated Property |
| Cp,gas | 728.69 | J/mol×K | 746.21 | Joback Calculated Property |
| Cp,gas | 745.47 | J/mol×K | 778.20 | Joback Calculated Property |
| Cp,gas | 761.28 | J/mol×K | 810.20 | Joback Calculated Property |
| Cp,gas | 776.16 | J/mol×K | 842.20 | Joback Calculated Property |
| Cp,gas | 790.14 | J/mol×K | 874.20 | Joback Calculated Property |
| Cp,gas | 803.25 | J/mol×K | 906.19 | Joback Calculated Property |
| η | [0.0000958; 0.0015490] | Pa×s | [391.20; 714.21] |
|
| η | 0.0015490 | Pa×s | 391.20 | Joback Calculated Property |
| η | 0.0007359 | Pa×s | 445.03 | Joback Calculated Property |
| η | 0.0004105 | Pa×s | 498.87 | Joback Calculated Property |
| η | 0.0002566 | Pa×s | 552.70 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 606.54 | Joback Calculated Property |
| η | 0.0001261 | Pa×s | 660.38 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 714.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, octyl ester.
Sources
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