- InChI
- InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-14-19-23-21(22)18-17-20-15-12-13-16-20/h20H,2-19H2,1H3
- InChI Key
- GQDYEEAXSXIUTM-UHFFFAOYSA-N
- Formula
- C21H40O2
- SMILES
- CCCCCCCCCCCCCOC(=O)CCC1CCCC1
- 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° | -71.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.75 | kJ/mol | Joback Calculated Property |
| log10WS | -7.13 | Crippen Calculated Property | |
| logPoct/wat | 6.811 | Crippen Calculated Property | |
| McVol | 303.330 | ml/mol | McGowan Calculated Property |
| Pc | 1105.21 | kPa | Joback Calculated Property |
| Inp | [2351.10; 2351.10] |
|
|
| Inp | 2351.10 | NIST | |
| Inp | 2351.10 | NIST | |
| Tboil | 771.45 | K | Joback Calculated Property |
| Tc | 955.43 | K | Joback Calculated Property |
| Tfus | 409.49 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.47; 1072.55] | J/mol×K | [771.45; 955.43] |
|
| Cp,gas | 963.47 | J/mol×K | 771.45 | Joback Calculated Property |
| Cp,gas | 984.35 | J/mol×K | 802.11 | Joback Calculated Property |
| Cp,gas | 1004.10 | J/mol×K | 832.78 | Joback Calculated Property |
| Cp,gas | 1022.76 | J/mol×K | 863.44 | Joback Calculated Property |
| Cp,gas | 1040.36 | J/mol×K | 894.10 | Joback Calculated Property |
| Cp,gas | 1056.95 | J/mol×K | 924.77 | Joback Calculated Property |
| Cp,gas | 1072.55 | J/mol×K | 955.43 | Joback Calculated Property |
| η | [0.0000938; 0.0017770] | Pa×s | [409.49; 771.45] |
|
| η | 0.0017770 | Pa×s | 409.49 | Joback Calculated Property |
| η | 0.0007945 | Pa×s | 469.82 | Joback Calculated Property |
| η | 0.0004267 | Pa×s | 530.14 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 590.47 | Joback Calculated Property |
| η | 0.0001739 | Pa×s | 650.80 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 711.12 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 771.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, tridecyl ester.
Sources
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