- InChI
- InChI=1S/C17H26O3/c1-3-4-8-15(11-13-19-2)12-14-20-17(18)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3
- InChI Key
- DQZUKUSMWHVXAM-UHFFFAOYSA-N
- Formula
- C17H26O3
- SMILES
- CCCCC(CCOC)CCOC(=O)c1ccccc1
- Molecular Weight1
- 278.39
- 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° | -136.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 4.076 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | 2041.00 | NIST | |
| Tboil | 713.31 | K | Joback Calculated Property |
| Tc | 908.82 | K | Joback Calculated Property |
| Tfus | 387.16 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.64; 774.14] | J/mol×K | [713.31; 908.82] | 
|
| Cp,gas | 684.64 | J/mol×K | 713.31 | Joback Calculated Property |
| Cp,gas | 702.02 | J/mol×K | 745.90 | Joback Calculated Property |
| Cp,gas | 718.39 | J/mol×K | 778.48 | Joback Calculated Property |
| Cp,gas | 733.76 | J/mol×K | 811.07 | Joback Calculated Property |
| Cp,gas | 748.17 | J/mol×K | 843.65 | Joback Calculated Property |
| Cp,gas | 761.62 | J/mol×K | 876.24 | Joback Calculated Property |
| Cp,gas | 774.14 | J/mol×K | 908.82 | Joback Calculated Property |
| η | [0.0000771; 0.0014301] | Pa×s | [387.16; 713.31] |
|
| η | 0.0014301 | Pa×s | 387.16 | Joback Calculated Property |
| η | 0.0006514 | Pa×s | 441.52 | Joback Calculated Property |
| η | 0.0003526 | Pa×s | 495.88 | Joback Calculated Property |
| η | 0.0002154 | Pa×s | 550.24 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 604.59 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 658.95 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 713.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(2-methoxyethyl)heptyl ester.
Sources
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