- InChI
- InChI=1S/C14H20O3/c1-3-5-11-16-13-8-6-12(7-9-13)14(15)17-10-4-2/h6-9H,3-5,10-11H2,1-2H3
- InChI Key
- AHHNVMLQQQVQET-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- CCCCOc1ccc(C(=O)OCCC)cc1
- 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° | -169.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.432 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Inp | [2034.00; 2052.00] |
|
|
| Inp | 2034.00 | NIST | |
| Inp | 2039.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Inp | 2052.00 | NIST | |
| Tboil | 650.09 | K | Joback Calculated Property |
| Tc | 849.38 | K | Joback Calculated Property |
| Tfus | 380.87 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.01; 603.27] | J/mol×K | [650.09; 849.38] |
|
| Cp,gas | 521.01 | J/mol×K | 650.09 | Joback Calculated Property |
| Cp,gas | 536.82 | J/mol×K | 683.31 | Joback Calculated Property |
| Cp,gas | 551.77 | J/mol×K | 716.52 | Joback Calculated Property |
| Cp,gas | 565.89 | J/mol×K | 749.74 | Joback Calculated Property |
| Cp,gas | 579.17 | J/mol×K | 782.95 | Joback Calculated Property |
| Cp,gas | 591.63 | J/mol×K | 816.17 | Joback Calculated Property |
| Cp,gas | 603.27 | J/mol×K | 849.38 | Joback Calculated Property |
| η | [0.0001181; 0.0011604] | Pa×s | [380.87; 650.09] |
|
| η | 0.0011604 | Pa×s | 380.87 | Joback Calculated Property |
| η | 0.0006488 | Pa×s | 425.74 | Joback Calculated Property |
| η | 0.0004053 | Pa×s | 470.61 | Joback Calculated Property |
| η | 0.0002748 | Pa×s | 515.48 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 560.35 | Joback Calculated Property |
| η | 0.0001501 | Pa×s | 605.22 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 650.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl p-butoxybenzoate.
Sources
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