- InChI
- InChI=1S/C16H24O3/c1-3-4-8-14(11-12-18-2)13-19-16(17)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3
- InChI Key
- XPFIBKILBHEPLF-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
- CCCCC(CCOC)COC(=O)c1ccccc1
- Molecular Weight1
- 264.36
- 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° | -145.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.686 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Pc | 1756.54 | kPa | Joback Calculated Property |
| Inp | 1931.00 | NIST | |
| Tboil | 690.43 | K | Joback Calculated Property |
| Tc | 887.72 | K | Joback Calculated Property |
| Tfus | 375.89 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.15; 717.26] | J/mol×K | [690.43; 887.72] | 
|
| Cp,gas | 629.15 | J/mol×K | 690.43 | Joback Calculated Property |
| Cp,gas | 646.23 | J/mol×K | 723.31 | Joback Calculated Property |
| Cp,gas | 662.33 | J/mol×K | 756.19 | Joback Calculated Property |
| Cp,gas | 677.46 | J/mol×K | 789.07 | Joback Calculated Property |
| Cp,gas | 691.65 | J/mol×K | 821.95 | Joback Calculated Property |
| Cp,gas | 704.91 | J/mol×K | 854.83 | Joback Calculated Property |
| Cp,gas | 717.26 | J/mol×K | 887.72 | Joback Calculated Property |
| η | [0.0000874; 0.0015621] | Pa×s | [375.89; 690.43] |
|
| η | 0.0015621 | Pa×s | 375.89 | Joback Calculated Property |
| η | 0.0007200 | Pa×s | 428.31 | Joback Calculated Property |
| η | 0.0003930 | Pa×s | 480.74 | Joback Calculated Property |
| η | 0.0002416 | Pa×s | 533.16 | Joback Calculated Property |
| η | 0.0001620 | Pa×s | 585.58 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 638.01 | Joback Calculated Property |
| η | 0.0000874 | Pa×s | 690.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(2-methoxyethyl)hexyl ester.
Sources
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