- InChI
- InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)21-18-15-12-11-13-16-18/h18H,2-17H2,1H3
- InChI Key
- WXCHSMQQILPIJC-UHFFFAOYSA-N
- Formula
- C19H36O2
- SMILES
- CCCCCCCCCCCCC(=O)OC1CCCCC1
- Molecular Weight1
- 296.49
- 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 | 0.8426 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.173 | Crippen Calculated Property | |
| McVol | 275.150 | ml/mol | McGowan Calculated Property |
| Pc | 1283.75 | kPa | Joback Calculated Property |
| Inp | [2113.00; 2113.00] |
|
|
| Inp | 2113.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Tboil | 604.88 | K | Relay (1.0) Calculated Property |
| Tc | 808.37 | K | Relay (1.0) Calculated Property |
| Tfus | 283.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.045 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.17; 955.50] | J/mol×K | [729.96; 916.79] |
|
| Cp,gas | 846.17 | J/mol×K | 729.96 | Joback Calculated Property |
| Cp,gas | 867.17 | J/mol×K | 761.10 | Joback Calculated Property |
| Cp,gas | 887.03 | J/mol×K | 792.24 | Joback Calculated Property |
| Cp,gas | 905.76 | J/mol×K | 823.37 | Joback Calculated Property |
| Cp,gas | 923.39 | J/mol×K | 854.51 | Joback Calculated Property |
| Cp,gas | 939.96 | J/mol×K | 885.65 | Joback Calculated Property |
| Cp,gas | 955.50 | J/mol×K | 916.79 | Joback Calculated Property |
| η | [0.0000877; 0.0021704] | Pa×s | [383.43; 729.96] |
|
| η | 0.0021704 | Pa×s | 383.43 | Joback Calculated Property |
| η | 0.0008958 | Pa×s | 441.19 | Joback Calculated Property |
| η | 0.0004538 | Pa×s | 498.94 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 556.69 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 614.45 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 672.20 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 729.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexyl tridecanoate.
Sources
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