- InChI
- InChI=1S/C13H18O3/c1-3-4-10-15-13(14)11(2)16-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
- InChI Key
- BNDNRTDZPSIZIY-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- CCCCOC(=O)C(C)Oc1ccccc1
- Molecular Weight1
- 222.28
- 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° | -170.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.797 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | 1492.00 | NIST | |
| Tboil | 621.79 | K | Joback Calculated Property |
| Tc | 826.70 | K | Joback Calculated Property |
| Tfus | 342.08 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.27; 552.10] | J/mol×K | [621.79; 826.70] | 
|
| Cp,gas | 470.27 | J/mol×K | 621.79 | Joback Calculated Property |
| Cp,gas | 486.08 | J/mol×K | 655.94 | Joback Calculated Property |
| Cp,gas | 501.01 | J/mol×K | 690.09 | Joback Calculated Property |
| Cp,gas | 515.06 | J/mol×K | 724.24 | Joback Calculated Property |
| Cp,gas | 528.25 | J/mol×K | 758.39 | Joback Calculated Property |
| Cp,gas | 540.60 | J/mol×K | 792.55 | Joback Calculated Property |
| Cp,gas | 552.10 | J/mol×K | 826.70 | Joback Calculated Property |
| η | [0.0001240; 0.0019529] | Pa×s | [342.08; 621.79] |
|
| η | 0.0019529 | Pa×s | 342.08 | Joback Calculated Property |
| η | 0.0009365 | Pa×s | 388.70 | Joback Calculated Property |
| η | 0.0005257 | Pa×s | 435.32 | Joback Calculated Property |
| η | 0.0003299 | Pa×s | 481.94 | Joback Calculated Property |
| η | 0.0002248 | Pa×s | 528.55 | Joback Calculated Property |
| η | 0.0001630 | Pa×s | 575.17 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 621.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyl 2-phenoxypropionate.
Sources
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