- InChI
- InChI=1S/C21H24O2/c1-14-8-10-18(16(3)12-14)20(22)6-5-7-21(23)19-11-9-15(2)13-17(19)4/h8-13H,5-7H2,1-4H3
- InChI Key
- GWLPWMUYNCDPJK-UHFFFAOYSA-N
- Formula
- C21H24O2
- SMILES
-
Cc1ccc(C(=O)CCCC(=O)c2ccc(C)cc
2C)c(C)c1 - Molecular Weight1
- 308.41
- CAS
- 6280-01-9
- 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° | 54.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.76 | Crippen Calculated Property | |
| logPoct/wat | 5.156 | Crippen Calculated Property | |
| McVol | 262.370 | ml/mol | McGowan Calculated Property |
| Pc | 1592.35 | kPa | Joback Calculated Property |
| Tboil | 860.90 | K | Joback Calculated Property |
| Tc | 1087.39 | K | Joback Calculated Property |
| Tfus | 529.21 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.71; 856.22] | J/mol×K | [860.90; 1087.39] | 
|
| Cp,gas | 780.71 | J/mol×K | 860.90 | Joback Calculated Property |
| Cp,gas | 796.04 | J/mol×K | 898.65 | Joback Calculated Property |
| Cp,gas | 810.20 | J/mol×K | 936.40 | Joback Calculated Property |
| Cp,gas | 823.25 | J/mol×K | 974.14 | Joback Calculated Property |
| Cp,gas | 835.23 | J/mol×K | 1011.89 | Joback Calculated Property |
| Cp,gas | 846.20 | J/mol×K | 1049.64 | Joback Calculated Property |
| Cp,gas | 856.22 | J/mol×K | 1087.39 | Joback Calculated Property |
| η | [0.0000901; 0.0006166] | Pa×s | [529.21; 860.90] |
|
| η | 0.0006166 | Pa×s | 529.21 | Joback Calculated Property |
| η | 0.0003846 | Pa×s | 584.49 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 639.77 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 695.06 | Joback Calculated Property |
| η | 0.0001416 | Pa×s | 750.34 | Joback Calculated Property |
| η | 0.0001112 | Pa×s | 805.62 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 860.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Di-(2,4-dimethyl-benzoyl)-propane.
Sources
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