- InChI
- InChI=1S/C22H34O/c1-3-16(2)19-14-20(17-10-6-4-7-11-17)22(23)21(15-19)18-12-8-5-9-13-18/h14-18,23H,3-13H2,1-2H3
- InChI Key
- IUPNCOGRTZRLMM-UHFFFAOYSA-N
- Formula
- C22H34O
- SMILES
-
CCC(C)c1cc(C2CCCCC2)c(O)c(C2CC
CCC2)c1 - Molecular Weight1
- 314.50
- CAS
- 52938-79-1
- 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).
- 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° | 119.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.65 | kJ/mol | Joback Calculated Property |
| log10WS | -7.29 | Crippen Calculated Property | |
| logPoct/wat | 7.001 | Crippen Calculated Property | |
| McVol | 281.230 | ml/mol | McGowan Calculated Property |
| Pc | 1649.77 | kPa | Joback Calculated Property |
| Tboil | 858.68 | K | Joback Calculated Property |
| Tc | 1103.71 | K | Joback Calculated Property |
| Tfus | 500.64 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [950.81; 1066.24] | J/mol×K | [858.68; 1103.71] | 
|
| Cp,gas | 950.81 | J/mol×K | 858.68 | Joback Calculated Property |
| Cp,gas | 973.46 | J/mol×K | 899.52 | Joback Calculated Property |
| Cp,gas | 994.55 | J/mol×K | 940.36 | Joback Calculated Property |
| Cp,gas | 1014.21 | J/mol×K | 981.19 | Joback Calculated Property |
| Cp,gas | 1032.61 | J/mol×K | 1022.03 | Joback Calculated Property |
| Cp,gas | 1049.90 | J/mol×K | 1062.87 | Joback Calculated Property |
| Cp,gas | 1066.24 | J/mol×K | 1103.71 | Joback Calculated Property |
| η | [0.0000037; 0.0002644] | Pa×s | [500.64; 858.68] |
|
| η | 0.0002644 | Pa×s | 500.64 | Joback Calculated Property |
| η | 0.0000891 | Pa×s | 560.31 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 619.99 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 679.66 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 739.33 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 799.01 | Joback Calculated Property |
| η | 0.0000037 | Pa×s | 858.68 | Joback Calculated Property |
Similar Compounds
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Sources
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