- InChI
- InChI=1S/C15H22O3/c1-3-5-10-17-14-9-7-8-13(12-14)15(16)18-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
- InChI Key
- PKIMTBWBQJAVEU-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
- CCCCOC(=O)c1cccc(OCCCC)c1
- Molecular Weight1
- 250.33
- 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° | -160.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.822 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | [1889.00; 1889.00] |
|
|
| Inp | 1889.00 | NIST | |
| Inp | 1889.00 | NIST | |
| Tboil | 672.97 | K | Joback Calculated Property |
| Tc | 869.94 | K | Joback Calculated Property |
| Tfus | 392.14 | K | Joback Calculated Property |
| Vc | 0.809 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.00; 658.47] | J/mol×K | [672.97; 869.94] |
|
| Cp,gas | 574.00 | J/mol×K | 672.97 | Joback Calculated Property |
| Cp,gas | 590.26 | J/mol×K | 705.80 | Joback Calculated Property |
| Cp,gas | 605.64 | J/mol×K | 738.63 | Joback Calculated Property |
| Cp,gas | 620.13 | J/mol×K | 771.45 | Joback Calculated Property |
| Cp,gas | 633.77 | J/mol×K | 804.28 | Joback Calculated Property |
| Cp,gas | 646.54 | J/mol×K | 837.11 | Joback Calculated Property |
| Cp,gas | 658.47 | J/mol×K | 869.94 | Joback Calculated Property |
| η | [0.0001057; 0.0010931] | Pa×s | [392.14; 672.97] |
|
| η | 0.0010931 | Pa×s | 392.14 | Joback Calculated Property |
| η | 0.0006017 | Pa×s | 438.95 | Joback Calculated Property |
| η | 0.0003716 | Pa×s | 485.75 | Joback Calculated Property |
| η | 0.0002498 | Pa×s | 532.56 | Joback Calculated Property |
| η | 0.0001790 | Pa×s | 579.36 | Joback Calculated Property |
| η | 0.0001349 | Pa×s | 626.17 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 672.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-butyloxy-, butyl ester.
Sources
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