- InChI
- InChI=1S/C13H18O3/c1-15-9-7-13(8-10-16-11-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
- InChI Key
- KBGIXBCGHBVUDU-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- COCCC(CCOC=O)c1ccccc1
- 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° | -140.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 2.370 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2295.91 | kPa | Joback Calculated Property |
| Inp | [1616.00; 1616.00] |
|
|
| Inp | 1616.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Tboil | 616.58 | K | Joback Calculated Property |
| Tc | 817.20 | K | Joback Calculated Property |
| Tfus | 334.15 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.53; 551.03] | J/mol×K | [616.58; 817.20] |
|
| Cp,gas | 470.53 | J/mol×K | 616.58 | Joback Calculated Property |
| Cp,gas | 486.02 | J/mol×K | 650.02 | Joback Calculated Property |
| Cp,gas | 500.66 | J/mol×K | 683.45 | Joback Calculated Property |
| Cp,gas | 514.47 | J/mol×K | 716.89 | Joback Calculated Property |
| Cp,gas | 527.46 | J/mol×K | 750.32 | Joback Calculated Property |
| Cp,gas | 539.64 | J/mol×K | 783.76 | Joback Calculated Property |
| Cp,gas | 551.03 | J/mol×K | 817.20 | Joback Calculated Property |
| η | [0.0001369; 0.0022512] | Pa×s | [334.15; 616.58] |
|
| η | 0.0022512 | Pa×s | 334.15 | Joback Calculated Property |
| η | 0.0010583 | Pa×s | 381.22 | Joback Calculated Property |
| η | 0.0005873 | Pa×s | 428.29 | Joback Calculated Property |
| η | 0.0003662 | Pa×s | 475.37 | Joback Calculated Property |
| η | 0.0002487 | Pa×s | 522.44 | Joback Calculated Property |
| η | 0.0001800 | Pa×s | 569.51 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 616.58 | Joback Calculated Property |
Similar Compounds
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Sources
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