- InChI
- InChI=1S/C16H24O2/c1-3-4-5-6-7-10-13-18-16(17)15-12-9-8-11-14(15)2/h8-9,11-12H,3-7,10,13H2,1-2H3
- InChI Key
- HFHCPLJKATZYOB-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCCCCCCOC(=O)c1ccccc1C
- Molecular Weight1
- 248.36
- CAS
- 194725-26-3
- Other Names
-
- o-Toluylic acid, octyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7772 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.512 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [1863.50; 1863.50] |
|
|
| Inp | 1863.50 | NIST | |
| Inp | 1863.50 | NIST | |
| Tboil | 587.97 | K | Relay (1.0) Calculated Property |
| Tc | 787.11 | K | Relay (1.0) Calculated Property |
| Tfus | 255.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.828 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.73; 688.29] | J/mol×K | [673.43; 869.56] |
|
| Cp,gas | 599.73 | J/mol×K | 673.43 | Joback Calculated Property |
| Cp,gas | 616.73 | J/mol×K | 706.12 | Joback Calculated Property |
| Cp,gas | 632.81 | J/mol×K | 738.81 | Joback Calculated Property |
| Cp,gas | 647.97 | J/mol×K | 771.49 | Joback Calculated Property |
| Cp,gas | 662.26 | J/mol×K | 804.18 | Joback Calculated Property |
| Cp,gas | 675.69 | J/mol×K | 836.87 | Joback Calculated Property |
| Cp,gas | 688.29 | J/mol×K | 869.56 | Joback Calculated Property |
| η | [0.0001210; 0.0014273] | Pa×s | [381.18; 673.43] |
|
| η | 0.0014273 | Pa×s | 381.18 | Joback Calculated Property |
| η | 0.0007494 | Pa×s | 429.89 | Joback Calculated Property |
| η | 0.0004486 | Pa×s | 478.60 | Joback Calculated Property |
| η | 0.0002953 | Pa×s | 527.31 | Joback Calculated Property |
| η | 0.0002086 | Pa×s | 576.01 | Joback Calculated Property |
| η | 0.0001555 | Pa×s | 624.72 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 673.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, octyl ester.
Sources
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