- InChI
- InChI=1S/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
- InChI Key
- VRBLNWVVFVBNRK-UHFFFAOYSA-N
- Formula
- C18H18O2
- SMILES
- O=C(CCCCC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 266.33
- CAS
- 3375-38-0
- Other Names
-
- Butane, 1,4-dibenzoyl-
- 1,4-Dibenzoylbutane
- 1,6-Diphenyl-1,6-hexanedione
- 1,6-diphenylhexane-1,6-dione
- 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° | 67.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.28 | Crippen Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 220.100 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Tboil | 772.34 | K | Joback Calculated Property |
| Tc | 1005.29 | K | Joback Calculated Property |
| Tfus | 383.00 ± 3.00 | K | NIST |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.82; 690.25] | J/mol×K | [772.34; 1005.29] | 
|
| Cp,gas | 615.82 | J/mol×K | 772.34 | Joback Calculated Property |
| Cp,gas | 631.01 | J/mol×K | 811.17 | Joback Calculated Property |
| Cp,gas | 644.98 | J/mol×K | 849.99 | Joback Calculated Property |
| Cp,gas | 657.80 | J/mol×K | 888.82 | Joback Calculated Property |
| Cp,gas | 669.57 | J/mol×K | 927.64 | Joback Calculated Property |
| Cp,gas | 680.36 | J/mol×K | 966.47 | Joback Calculated Property |
| Cp,gas | 690.25 | J/mol×K | 1005.29 | Joback Calculated Property |
| η | [0.0001248; 0.0014296] | Pa×s | [445.32; 772.34] |
|
| η | 0.0014296 | Pa×s | 445.32 | Joback Calculated Property |
| η | 0.0007629 | Pa×s | 499.82 | Joback Calculated Property |
| η | 0.0004607 | Pa×s | 554.33 | Joback Calculated Property |
| η | 0.0003045 | Pa×s | 608.83 | Joback Calculated Property |
| η | 0.0002154 | Pa×s | 663.33 | Joback Calculated Property |
| η | 0.0001606 | Pa×s | 717.84 | Joback Calculated Property |
| η | 0.0001248 | Pa×s | 772.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Hexanedione, 1,6-diphenyl-.
Sources
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