- InChI
- InChI=1S/C13H16O3/c1-3-10(4-2)13(15)16-12-8-6-5-7-11(12)9-14/h5-10H,3-4H2,1-2H3
- InChI Key
- NWJRTMIRMYQPJQ-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
- CCC(CC)C(=O)Oc1ccccc1C=O
- Molecular Weight1
- 220.26
- 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° | -174.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 2.841 | Crippen Calculated Property | |
| McVol | 179.280 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Inp | 1637.00 | NIST | |
| Tboil | 653.01 | K | Joback Calculated Property |
| Tc | 863.44 | K | Joback Calculated Property |
| Tfus | 374.37 | K | Joback Calculated Property |
| Vc | 0.691 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.71; 535.28] | J/mol×K | [653.01; 863.44] | 
|
| Cp,gas | 462.71 | J/mol×K | 653.01 | Joback Calculated Property |
| Cp,gas | 476.91 | J/mol×K | 688.08 | Joback Calculated Property |
| Cp,gas | 490.24 | J/mol×K | 723.15 | Joback Calculated Property |
| Cp,gas | 502.73 | J/mol×K | 758.22 | Joback Calculated Property |
| Cp,gas | 514.38 | J/mol×K | 793.30 | Joback Calculated Property |
| Cp,gas | 525.23 | J/mol×K | 828.37 | Joback Calculated Property |
| Cp,gas | 535.28 | J/mol×K | 863.44 | Joback Calculated Property |
| η | [0.0001752; 0.0019526] | Pa×s | [374.37; 653.01] |
|
| η | 0.0019526 | Pa×s | 374.37 | Joback Calculated Property |
| η | 0.0010467 | Pa×s | 420.81 | Joback Calculated Property |
| η | 0.0006351 | Pa×s | 467.25 | Joback Calculated Property |
| η | 0.0004218 | Pa×s | 513.69 | Joback Calculated Property |
| η | 0.0002998 | Pa×s | 560.13 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 606.57 | Joback Calculated Property |
| η | 0.0001752 | Pa×s | 653.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2-formylphenyl ester.
Sources
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