- InChI
- InChI=1S/C17H26O2/c1-3-4-5-6-7-8-11-14-19-17(18)16-13-10-9-12-15(16)2/h9-10,12-13H,3-8,11,14H2,1-2H3
- InChI Key
- SQNNJZFKCWXFBT-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCCCCCOC(=O)c1ccccc1C
- Molecular Weight1
- 262.39
- CAS
- 343598-14-1
- Other Names
-
- o-Toluylic acid, nonyl ester
- Benzoic acid, 2-methyl-, nonyl 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 | 0.8171 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.902 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1615.47 | kPa | Joback Calculated Property |
| Inp | 1965.70 | NIST | |
| Tboil | 596.73 | K | Relay (1.0) Calculated Property |
| Tc | 797.35 | K | Relay (1.0) Calculated Property |
| Tfus | 262.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.61; 744.91] | J/mol×K | [696.31; 890.56] | 
|
| Cp,gas | 654.61 | J/mol×K | 696.31 | Joback Calculated Property |
| Cp,gas | 671.96 | J/mol×K | 728.69 | Joback Calculated Property |
| Cp,gas | 688.36 | J/mol×K | 761.06 | Joback Calculated Property |
| Cp,gas | 703.83 | J/mol×K | 793.44 | Joback Calculated Property |
| Cp,gas | 718.39 | J/mol×K | 825.81 | Joback Calculated Property |
| Cp,gas | 732.07 | J/mol×K | 858.19 | Joback Calculated Property |
| Cp,gas | 744.91 | J/mol×K | 890.56 | Joback Calculated Property |
| η | [0.0001079; 0.0013343] | Pa×s | [392.45; 696.31] |
|
| η | 0.0013343 | Pa×s | 392.45 | Joback Calculated Property |
| η | 0.0006905 | Pa×s | 443.09 | Joback Calculated Property |
| η | 0.0004091 | Pa×s | 493.74 | Joback Calculated Property |
| η | 0.0002671 | Pa×s | 544.38 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 595.02 | Joback Calculated Property |
| η | 0.0001392 | Pa×s | 645.67 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 696.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, nonyl ester.
Sources
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