- InChI
- InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24-22(23)21-18-15-14-16-19-21/h14-16,18-19H,2-13,17,20H2,1H3
- InChI Key
- OBFVUHBJCUHVPI-UHFFFAOYSA-N
- Formula
- C22H36O2
- SMILES
- CCCCCCCCCCCCCCCOC(=O)c1ccccc1
- Molecular Weight1
- 332.52
- 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 | 1.0094 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.935 | Crippen Calculated Property | |
| McVol | 304.520 | ml/mol | McGowan Calculated Property |
| Pc | 1146.76 | kPa | Joback Calculated Property |
| Inp | [2563.00; 2563.00] |
|
|
| Inp | 2563.00 | NIST | |
| Inp | 2563.00 | NIST | |
| Tboil | 632.36 | K | Relay (1.0) Calculated Property |
| Tc | 834.18 | K | Relay (1.0) Calculated Property |
| Tfus | 297.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.166 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.31; 1042.15] | J/mol×K | [805.73; 997.16] |
|
| Cp,gas | 945.31 | J/mol×K | 805.73 | Joback Calculated Property |
| Cp,gas | 964.06 | J/mol×K | 837.63 | Joback Calculated Property |
| Cp,gas | 981.72 | J/mol×K | 869.54 | Joback Calculated Property |
| Cp,gas | 998.31 | J/mol×K | 901.44 | Joback Calculated Property |
| Cp,gas | 1013.89 | J/mol×K | 933.35 | Joback Calculated Property |
| Cp,gas | 1028.49 | J/mol×K | 965.25 | Joback Calculated Property |
| Cp,gas | 1042.15 | J/mol×K | 997.16 | Joback Calculated Property |
| η | [0.0000566; 0.0010554] | Pa×s | [436.28; 805.73] |
|
| η | 0.0010554 | Pa×s | 436.28 | Joback Calculated Property |
| η | 0.0004794 | Pa×s | 497.85 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 559.43 | Joback Calculated Property |
| η | 0.0001582 | Pa×s | 621.00 | Joback Calculated Property |
| η | 0.0001056 | Pa×s | 682.58 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 744.15 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 805.73 | Joback Calculated Property |
Similar Compounds
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Sources
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