- InChI
- InChI=1S/C14H18O3/c1-4-11(5-2)14(16)17-13-8-6-12(7-9-13)10(3)15/h6-9,11H,4-5H2,1-3H3
- InChI Key
- NQIPBYSVMZRHAH-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- CCC(CC)C(=O)Oc1ccc(C(C)=O)cc1
- Molecular Weight1
- 234.29
- 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° | -195.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.231 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | 1800.00 | NIST | |
| Tboil | 681.10 | K | Joback Calculated Property |
| Tc | 892.57 | K | Joback Calculated Property |
| Tfus | 393.57 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.98; 590.19] | J/mol×K | [681.10; 892.57] | 
|
| Cp,gas | 513.98 | J/mol×K | 681.10 | Joback Calculated Property |
| Cp,gas | 528.96 | J/mol×K | 716.35 | Joback Calculated Property |
| Cp,gas | 543.00 | J/mol×K | 751.59 | Joback Calculated Property |
| Cp,gas | 556.13 | J/mol×K | 786.84 | Joback Calculated Property |
| Cp,gas | 568.35 | J/mol×K | 822.08 | Joback Calculated Property |
| Cp,gas | 579.70 | J/mol×K | 857.33 | Joback Calculated Property |
| Cp,gas | 590.19 | J/mol×K | 892.57 | Joback Calculated Property |
| η | [0.0001419; 0.0016074] | Pa×s | [393.57; 681.10] |
|
| η | 0.0016074 | Pa×s | 393.57 | Joback Calculated Property |
| η | 0.0008611 | Pa×s | 441.49 | Joback Calculated Property |
| η | 0.0005213 | Pa×s | 489.41 | Joback Calculated Property |
| η | 0.0003451 | Pa×s | 537.33 | Joback Calculated Property |
| η | 0.0002444 | Pa×s | 585.26 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 633.18 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 681.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 4-acetylphenyl ester.
Sources
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