- InChI
- InChI=1S/C12H16O2/c1-9-6-7-10(2)11(8-9)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
- InChI Key
- XNTQOUBHYSKYOI-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- Cc1ccc(C)c(CCCC(=O)O)c1
- Molecular Weight1
- 192.25
- CAS
- 1453-06-1
- Other Names
-
- Butyric acid, 4-(2,5-xylyl)-
- «gamma»-(2,5-Dimethylphenyl)-n-butyric acid
- 4-(2,5-Xylyl)butanoic acid
- 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).
- 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° | -122.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.711 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Tboil | 656.65 | K | Joback Calculated Property |
| Tc | 853.59 | K | Joback Calculated Property |
| Tfus | 387.21 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.11; 487.23] | J/mol×K | [656.65; 853.59] | 
|
| Cp,gas | 423.11 | J/mol×K | 656.65 | Joback Calculated Property |
| Cp,gas | 435.41 | J/mol×K | 689.47 | Joback Calculated Property |
| Cp,gas | 447.04 | J/mol×K | 722.30 | Joback Calculated Property |
| Cp,gas | 458.01 | J/mol×K | 755.12 | Joback Calculated Property |
| Cp,gas | 468.35 | J/mol×K | 787.94 | Joback Calculated Property |
| Cp,gas | 478.08 | J/mol×K | 820.76 | Joback Calculated Property |
| Cp,gas | 487.23 | J/mol×K | 853.59 | Joback Calculated Property |
| η | [0.0000629; 0.0021614] | Pa×s | [387.21; 656.65] |
|
| η | 0.0021614 | Pa×s | 387.21 | Joback Calculated Property |
| η | 0.0008826 | Pa×s | 432.12 | Joback Calculated Property |
| η | 0.0004266 | Pa×s | 477.02 | Joback Calculated Property |
| η | 0.0002337 | Pa×s | 521.93 | Joback Calculated Property |
| η | 0.0001408 | Pa×s | 566.84 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 611.74 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 656.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenebutanoic acid, 2,5-dimethyl-.
Sources
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