- InChI
- InChI=1S/C18H22/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
- InChI Key
- JTJWVUQPSOFEPZ-UHFFFAOYSA-N
- Formula
- C18H22
- SMILES
- CCC(c1ccccc1)C(CC)c1ccccc1
- Molecular Weight1
- 238.37
- CAS
- 5789-31-1
- 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° | 320.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 5.374 | Crippen Calculated Property | |
| McVol | 216.960 | ml/mol | McGowan Calculated Property |
| Pc | 1944.08 | kPa | Joback Calculated Property |
| Tboil | 571.00 ± 5.00 | K | NIST |
| Tc | 894.23 | K | Joback Calculated Property |
| Tfus | 365.00 ± 4.00 | K | NIST |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.75; 679.28] | J/mol×K | [663.72; 894.23] | 
|
| Cp,gas | 578.75 | J/mol×K | 663.72 | Joback Calculated Property |
| Cp,gas | 598.84 | J/mol×K | 702.14 | Joback Calculated Property |
| Cp,gas | 617.48 | J/mol×K | 740.56 | Joback Calculated Property |
| Cp,gas | 634.76 | J/mol×K | 778.98 | Joback Calculated Property |
| Cp,gas | 650.76 | J/mol×K | 817.40 | Joback Calculated Property |
| Cp,gas | 665.57 | J/mol×K | 855.81 | Joback Calculated Property |
| Cp,gas | 679.28 | J/mol×K | 894.23 | Joback Calculated Property |
| η | [0.0001062; 0.0037813] | Pa×s | [315.46; 663.72] |
|
| η | 0.0037813 | Pa×s | 315.46 | Joback Calculated Property |
| η | 0.0013126 | Pa×s | 373.50 | Joback Calculated Property |
| η | 0.0006057 | Pa×s | 431.55 | Joback Calculated Property |
| η | 0.0003357 | Pa×s | 489.59 | Joback Calculated Property |
| η | 0.0002109 | Pa×s | 547.63 | Joback Calculated Property |
| η | 0.0001448 | Pa×s | 605.68 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 663.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3,4-diphenyl-.
Sources
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