- InChI
- InChI=1S/C14H20O3/c1-12(15)17-11-9-14(8-10-16-2)13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3
- InChI Key
- RQZYEHFDNUKEMP-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- COCCC(CCOC(C)=O)c1ccccc1
- Molecular Weight1
- 236.31
- 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° | -161.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.760 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Inp | [1687.00; 1687.00] |
|
|
| Inp | 1687.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Tboil | 644.67 | K | Joback Calculated Property |
| Tc | 846.70 | K | Joback Calculated Property |
| Tfus | 353.35 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.88; 606.21] | J/mol×K | [644.67; 846.70] |
|
| Cp,gas | 521.88 | J/mol×K | 644.67 | Joback Calculated Property |
| Cp,gas | 538.19 | J/mol×K | 678.34 | Joback Calculated Property |
| Cp,gas | 553.58 | J/mol×K | 712.01 | Joback Calculated Property |
| Cp,gas | 568.06 | J/mol×K | 745.68 | Joback Calculated Property |
| Cp,gas | 581.65 | J/mol×K | 779.36 | Joback Calculated Property |
| Cp,gas | 594.36 | J/mol×K | 813.03 | Joback Calculated Property |
| Cp,gas | 606.21 | J/mol×K | 846.70 | Joback Calculated Property |
| η | [0.0001110; 0.0018268] | Pa×s | [353.35; 644.67] |
|
| η | 0.0018268 | Pa×s | 353.35 | Joback Calculated Property |
| η | 0.0008639 | Pa×s | 401.90 | Joback Calculated Property |
| η | 0.0004801 | Pa×s | 450.46 | Joback Calculated Property |
| η | 0.0002991 | Pa×s | 499.01 | Joback Calculated Property |
| η | 0.0002027 | Pa×s | 547.56 | Joback Calculated Property |
| η | 0.0001463 | Pa×s | 596.12 | Joback Calculated Property |
| η | 0.0001110 | Pa×s | 644.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 5-methoxy-3-phenylpentyl ester.
Sources
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