- InChI
- InChI=1S/C15H22O2/c1-3-4-5-6-9-12-17-15(16)14-11-8-7-10-13(14)2/h7-8,10-11H,3-6,9,12H2,1-2H3
- InChI Key
- RILXUMSPPJIGFP-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCCCCCCOC(=O)c1ccccc1C
- Molecular Weight1
- 234.33
- Other Names
-
- o-Toluylic acid, heptyl 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 | 0.7367 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.122 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback Calculated Property |
| Inp | [1759.80; 1759.80] |
|
|
| Inp | 1759.80 | NIST | |
| Inp | 1759.80 | NIST | |
| Tboil | 577.09 | K | Relay (1.0) Calculated Property |
| Tc | 775.97 | K | Relay (1.0) Calculated Property |
| Tfus | 248.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.11; 632.62] | J/mol×K | [650.55; 848.93] |
|
| Cp,gas | 546.11 | J/mol×K | 650.55 | Joback Calculated Property |
| Cp,gas | 562.71 | J/mol×K | 683.61 | Joback Calculated Property |
| Cp,gas | 578.41 | J/mol×K | 716.68 | Joback Calculated Property |
| Cp,gas | 593.23 | J/mol×K | 749.74 | Joback Calculated Property |
| Cp,gas | 607.19 | J/mol×K | 782.80 | Joback Calculated Property |
| Cp,gas | 620.31 | J/mol×K | 815.87 | Joback Calculated Property |
| Cp,gas | 632.62 | J/mol×K | 848.93 | Joback Calculated Property |
| η | [0.0001350; 0.0015149] | Pa×s | [369.91; 650.55] |
|
| η | 0.0015149 | Pa×s | 369.91 | Joback Calculated Property |
| η | 0.0008075 | Pa×s | 416.68 | Joback Calculated Property |
| η | 0.0004887 | Pa×s | 463.46 | Joback Calculated Property |
| η | 0.0003243 | Pa×s | 510.23 | Joback Calculated Property |
| η | 0.0002306 | Pa×s | 557.00 | Joback Calculated Property |
| η | 0.0001728 | Pa×s | 603.78 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 650.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, heptyl ester.
Sources
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