- InChI
- InChI=1S/C12H16O2/c1-4-5-12(13)14-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3
- InChI Key
- ARQBYJXHHMRZOF-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CCCC(=O)Oc1cc(C)cc(C)c1
- Molecular Weight1
- 192.25
- 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° | -90.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.009 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [1423.00; 1423.00] |
|
|
| Inp | 1423.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Tboil | 586.89 | K | Joback Calculated Property |
| Tc | 794.87 | K | Joback Calculated Property |
| Tfus | 348.62 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.42; 470.31] | J/mol×K | [586.89; 794.87] |
|
| Cp,gas | 393.42 | J/mol×K | 586.89 | Joback Calculated Property |
| Cp,gas | 408.10 | J/mol×K | 621.55 | Joback Calculated Property |
| Cp,gas | 422.01 | J/mol×K | 656.22 | Joback Calculated Property |
| Cp,gas | 435.18 | J/mol×K | 690.88 | Joback Calculated Property |
| Cp,gas | 447.61 | J/mol×K | 725.54 | Joback Calculated Property |
| Cp,gas | 459.32 | J/mol×K | 760.20 | Joback Calculated Property |
| Cp,gas | 470.31 | J/mol×K | 794.87 | Joback Calculated Property |
| η | [0.0001769; 0.0013410] | Pa×s | [348.62; 586.89] |
|
| η | 0.0013410 | Pa×s | 348.62 | Joback Calculated Property |
| η | 0.0008050 | Pa×s | 388.33 | Joback Calculated Property |
| η | 0.0005313 | Pa×s | 428.04 | Joback Calculated Property |
| η | 0.0003763 | Pa×s | 467.75 | Joback Calculated Property |
| η | 0.0002812 | Pa×s | 507.47 | Joback Calculated Property |
| η | 0.0002193 | Pa×s | 547.18 | Joback Calculated Property |
| η | 0.0001769 | Pa×s | 586.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 3,5-dimethylphenyl ester.
Sources
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