- InChI
- InChI=1S/C18H22/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h3-4,7-10,13-16H,1-2,5-6,11-12H2
- InChI Key
- DVGPMIRVCZNXMD-UHFFFAOYSA-N
- Formula
- C18H22
- SMILES
- c1ccc(CCCCCCc2ccccc2)cc1
- Molecular Weight1
- 238.37
- CAS
- 1087-49-6
- Other Names
-
- Hexane, 1,6-diphenyl-
- 1,6-Diphenylhexane
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| PAff | 826.10 | kJ/mol | NIST |
| BasG | 783.80 | kJ/mol | NIST |
| ΔcH°liquid | -10230.00 | kJ/mol | NIST |
| ΔfG° | 325.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 58.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.21 | kJ/mol | Joback Calculated Property |
| log10WS | -5.56 | Crippen Calculated Property | |
| logPoct/wat | 5.032 | Crippen Calculated Property | |
| McVol | 216.960 | ml/mol | McGowan Calculated Property |
| Pc | 1916.94 | kPa | Joback Calculated Property |
| Tboil | 618.82 ± 0.20 | K | NIST |
| Tc | 886.15 | K | Joback Calculated Property |
| Tfus | [261.16; 280.10] | K |
|
| Tfus | 261.16 ± 0.05 | K | NIST |
| Tfus | 280.10 ± 2.00 | K | NIST |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.84; 675.08] | J/mol×K | [664.60; 886.15] |
|
| Cp,gas | 577.84 | J/mol×K | 664.60 | Joback Calculated Property |
| Cp,gas | 597.08 | J/mol×K | 701.53 | Joback Calculated Property |
| Cp,gas | 615.01 | J/mol×K | 738.45 | Joback Calculated Property |
| Cp,gas | 631.70 | J/mol×K | 775.38 | Joback Calculated Property |
| Cp,gas | 647.22 | J/mol×K | 812.30 | Joback Calculated Property |
| Cp,gas | 661.65 | J/mol×K | 849.23 | Joback Calculated Property |
| Cp,gas | 675.08 | J/mol×K | 886.15 | Joback Calculated Property |
| η | [0.0001234; 0.0021987] | Pa×s | [345.46; 664.60] |
|
| η | 0.0021987 | Pa×s | 345.46 | Joback Calculated Property |
| η | 0.0009876 | Pa×s | 398.65 | Joback Calculated Property |
| η | 0.0005356 | Pa×s | 451.84 | Joback Calculated Property |
| η | 0.0003304 | Pa×s | 505.03 | Joback Calculated Property |
| η | 0.0002235 | Pa×s | 558.22 | Joback Calculated Property |
| η | 0.0001618 | Pa×s | 611.41 | Joback Calculated Property |
| η | 0.0001234 | Pa×s | 664.60 | Joback Calculated Property |
| ΔvapH | 88.00 | kJ/mol | 333.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(1,6-hexanediyl)bis-.
Sources
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