- InChI
- InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3
- InChI Key
- IJWIRZQYWANBMP-UHFFFAOYSA-N
- Formula
- C21H28O2
- SMILES
-
CC(C)c1cc(C(C)(C)c2ccc(O)c(C(C
)C)c2)ccc1O - Molecular Weight1
- 312.45
- CAS
- 127-54-8
- 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° | 20.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 5.670 | Crippen Calculated Property | |
| McVol | 270.970 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| Tboil | 900.33 | K | Joback Calculated Property |
| Tc | 1145.40 | K | Joback Calculated Property |
| Tfus | 600.17 | K | Joback Calculated Property |
| Vc | 0.904 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [864.07; 970.30] | J/mol×K | [900.33; 1145.40] | 
|
| Cp,gas | 864.07 | J/mol×K | 900.33 | Joback Calculated Property |
| Cp,gas | 881.89 | J/mol×K | 941.17 | Joback Calculated Property |
| Cp,gas | 899.36 | J/mol×K | 982.02 | Joback Calculated Property |
| Cp,gas | 916.69 | J/mol×K | 1022.86 | Joback Calculated Property |
| Cp,gas | 934.14 | J/mol×K | 1063.71 | Joback Calculated Property |
| Cp,gas | 951.93 | J/mol×K | 1104.55 | Joback Calculated Property |
| Cp,gas | 970.30 | J/mol×K | 1145.40 | Joback Calculated Property |
| η | [0.0000001; 0.0000075] | Pa×s | [600.17; 900.33] |
|
| η | 0.0000075 | Pa×s | 600.17 | Joback Calculated Property |
| η | 0.0000028 | Pa×s | 650.20 | Joback Calculated Property |
| η | 0.0000012 | Pa×s | 700.22 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 750.25 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 800.28 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 850.30 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 900.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4, 4'-Isopropylidenebis (2-isopropylphenol).
Sources
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