- InChI
- InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21(22)23-20-17-14-13-15-18-20/h20H,2-19H2,1H3
- InChI Key
- LDGCLFIGEDVJAN-UHFFFAOYSA-N
- Formula
- C21H40O2
- SMILES
- CCCCCCCCCCCCCCC(=O)OC1CCCCC1
- Molecular Weight1
- 324.54
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -83.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.92 | kJ/mol | Joback Calculated Property |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 6.954 | Crippen Calculated Property | |
| McVol | 303.330 | ml/mol | McGowan Calculated Property |
| Pc | 1123.81 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 775.72 | K | Joback Calculated Property |
| Tc | 962.87 | K | Joback Calculated Property |
| Tfus | 405.97 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.85; 1078.15] | J/mol×K | [775.72; 962.87] |
|
| Cp,gas | 967.85 | J/mol×K | 775.72 | Joback Calculated Property |
| Cp,gas | 989.15 | J/mol×K | 806.91 | Joback Calculated Property |
| Cp,gas | 1009.24 | J/mol×K | 838.10 | Joback Calculated Property |
| Cp,gas | 1028.16 | J/mol×K | 869.29 | Joback Calculated Property |
| Cp,gas | 1045.92 | J/mol×K | 900.49 | Joback Calculated Property |
| Cp,gas | 1062.58 | J/mol×K | 931.68 | Joback Calculated Property |
| Cp,gas | 1078.15 | J/mol×K | 962.87 | Joback Calculated Property |
| η | [0.0000666; 0.0017434] | Pa×s | [405.97; 775.72] |
|
| η | 0.0017434 | Pa×s | 405.97 | Joback Calculated Property |
| η | 0.0007070 | Pa×s | 467.59 | Joback Calculated Property |
| η | 0.0003538 | Pa×s | 529.22 | Joback Calculated Property |
| η | 0.0002045 | Pa×s | 590.85 | Joback Calculated Property |
| η | 0.0001311 | Pa×s | 652.47 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 714.10 | Joback Calculated Property |
| η | 0.0000666 | Pa×s | 775.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexyl pentadecanoate.
Sources
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