- InChI
- InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3
- InChI Key
- YQOBYINWABKLFC-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
- CCCCCCCCCCCCCCOC(=O)c1ccccc1
- Molecular Weight1
- 318.49
- 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 | 0.9741 | Relay (1.0) Calculated Property | |
| ΔfG° | 4.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.545 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1225.12 | kPa | Joback Calculated Property |
| Inp | [2447.00; 2447.00] |
|
|
| Inp | 2447.00 | NIST | |
| Inp | 2447.00 | NIST | |
| Tboil | 625.55 | K | Relay (1.0) Calculated Property |
| Tc | 826.68 | K | Relay (1.0) Calculated Property |
| Tfus | 293.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.110 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.32; 981.13] | J/mol×K | [782.85; 973.54] |
|
| Cp,gas | 885.32 | J/mol×K | 782.85 | Joback Calculated Property |
| Cp,gas | 903.84 | J/mol×K | 814.63 | Joback Calculated Property |
| Cp,gas | 921.29 | J/mol×K | 846.41 | Joback Calculated Property |
| Cp,gas | 937.70 | J/mol×K | 878.19 | Joback Calculated Property |
| Cp,gas | 953.12 | J/mol×K | 909.98 | Joback Calculated Property |
| Cp,gas | 967.58 | J/mol×K | 941.76 | Joback Calculated Property |
| Cp,gas | 981.13 | J/mol×K | 973.54 | Joback Calculated Property |
| η | [0.0000649; 0.0011705] | Pa×s | [425.01; 782.85] |
|
| η | 0.0011705 | Pa×s | 425.01 | Joback Calculated Property |
| η | 0.0005373 | Pa×s | 484.65 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 544.29 | Joback Calculated Property |
| η | 0.0001796 | Pa×s | 603.93 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 663.57 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 723.21 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 782.85 | Joback Calculated Property |
Similar Compounds
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Sources
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