- InChI
- InChI=1S/C14H20O2/c1-3-4-5-8-11-16-14(15)13-10-7-6-9-12(13)2/h6-7,9-10H,3-5,8,11H2,1-2H3
- InChI Key
- SAUIRIVPBOUTOZ-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCCCCOC(=O)c1ccccc1C
- Molecular Weight1
- 220.31
- Other Names
-
- o-Toluylic acid, hexyl ester
- 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° | -64.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.85 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.732 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | 1668.00 | NIST | |
| Tboil | 627.67 | K | Joback Calculated Property |
| Tc | 828.65 | K | Joback Calculated Property |
| Tfus | 358.64 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.85; 577.93] | J/mol×K | [627.67; 828.65] | 
|
| Cp,gas | 493.85 | J/mol×K | 627.67 | Joback Calculated Property |
| Cp,gas | 509.98 | J/mol×K | 661.17 | Joback Calculated Property |
| Cp,gas | 525.23 | J/mol×K | 694.66 | Joback Calculated Property |
| Cp,gas | 539.64 | J/mol×K | 728.16 | Joback Calculated Property |
| Cp,gas | 553.21 | J/mol×K | 761.65 | Joback Calculated Property |
| Cp,gas | 565.96 | J/mol×K | 795.15 | Joback Calculated Property |
| Cp,gas | 577.93 | J/mol×K | 828.65 | Joback Calculated Property |
| η | [0.0001497; 0.0015939] | Pa×s | [358.64; 627.67] |
|
| η | 0.0015939 | Pa×s | 358.64 | Joback Calculated Property |
| η | 0.0008632 | Pa×s | 403.48 | Joback Calculated Property |
| η | 0.0005285 | Pa×s | 448.32 | Joback Calculated Property |
| η | 0.0003538 | Pa×s | 493.16 | Joback Calculated Property |
| η | 0.0002532 | Pa×s | 537.99 | Joback Calculated Property |
| η | 0.0001908 | Pa×s | 582.83 | Joback Calculated Property |
| η | 0.0001497 | Pa×s | 627.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, hexyl ester.
Sources
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