- InChI
- InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-10-15-20-18(19)17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3
- InChI Key
- QAISVFSPKQPVRM-UHFFFAOYSA-N
- Formula
- C18H28O2
- SMILES
- CCCCCCCCCCOC(=O)c1ccc(C)cc1
- Molecular Weight1
- 276.41
- CAS
- 66606-01-7
- Other Names
-
- p-Toluylic acid, decyl 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 | 0.8646 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.293 | Crippen Calculated Property | |
| McVol | 248.160 | ml/mol | McGowan Calculated Property |
| Pc | 1497.67 | kPa | Joback Calculated Property |
| Inp | 2127.90 | NIST | |
| Tboil | 613.56 | K | Relay (1.0) Calculated Property |
| Tc | 801.80 | K | Relay (1.0) Calculated Property |
| Tfus | 293.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.68; 802.46] | J/mol×K | [719.19; 912.00] | 
|
| Cp,gas | 710.68 | J/mol×K | 719.19 | Joback Calculated Property |
| Cp,gas | 728.33 | J/mol×K | 751.33 | Joback Calculated Property |
| Cp,gas | 745.01 | J/mol×K | 783.46 | Joback Calculated Property |
| Cp,gas | 760.73 | J/mol×K | 815.60 | Joback Calculated Property |
| Cp,gas | 775.53 | J/mol×K | 847.73 | Joback Calculated Property |
| Cp,gas | 789.43 | J/mol×K | 879.87 | Joback Calculated Property |
| Cp,gas | 802.46 | J/mol×K | 912.00 | Joback Calculated Property |
| η | [0.0000958; 0.0012384] | Pa×s | [403.72; 719.19] |
|
| η | 0.0012384 | Pa×s | 403.72 | Joback Calculated Property |
| η | 0.0006322 | Pa×s | 456.30 | Joback Calculated Property |
| η | 0.0003708 | Pa×s | 508.88 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 561.46 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 614.03 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 666.61 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 719.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, decyl ester.
Sources
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