- InChI
- InChI=1S/C18H22/c1-2-3-6-15-18(16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3
- InChI Key
- BXINIXQKBCSKKR-UHFFFAOYSA-N
- Formula
- C18H22
- SMILES
- CCCCCC(c1ccccc1)c1ccccc1
- Molecular Weight1
- 238.37
- CAS
- 1530-04-7
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.5449 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -10230.00 | kJ/mol | NIST |
| ΔfG° | 323.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.399 | Crippen Calculated Property | |
| McVol | 216.960 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Tboil | [594.18; 594.18] | K |
|
| Tboil | 594.18 ± 0.30 | K | NIST |
| Tboil | 594.18 ± 0.30 | K | NIST |
| Tc | 820.34 | K | Relay (1.0) Calculated Property |
| Tfus | [261.15; 261.39] | K |
|
| Tfus | 261.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 261.39 ± 0.10 | K | NIST |
| Tfus | 261.39 ± 0.10 | K | NIST |
| Vc | 0.795 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.50; 711.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.29660e+01 | |||
| Coefficient B | 1.56192e+00 | |||
| Coefficient C | -1.02100e-03 | |||
| Coefficient D | 2.53500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 272.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 423.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 485.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 539.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 585.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 624.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 658.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 686.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 711.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0153363; 0.0001410] | Pa×s | [261.31; 623.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.22522e+01 | |||
| Coefficient B | 2.10998e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 261.31 | |||
| Temperature range, max. | 623.26 | |||
| η | 0.0153363 | Pa×s | 261.31 | Calculated Property |
| η | 0.0052239 | Pa×s | 301.53 | Calculated Property |
| η | 0.0022927 | Pa×s | 341.74 | Calculated Property |
| η | 0.0011968 | Pa×s | 381.96 | Calculated Property |
| η | 0.0007071 | Pa×s | 422.18 | Calculated Property |
| η | 0.0004578 | Pa×s | 462.40 | Calculated Property |
| η | 0.0003178 | Pa×s | 502.61 | Calculated Property |
| η | 0.0002328 | Pa×s | 542.83 | Calculated Property |
| η | 0.0001781 | Pa×s | 583.05 | Calculated Property |
| η | 0.0001410 | Pa×s | 623.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 201.52] | kPa | [444.15; 631.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43785e+01 | |||
| Coefficient B | -4.76150e+03 | |||
| Coefficient C | -1.06332e+02 | |||
| Temperature range, min. | 444.15 | |||
| Temperature range, max. | 631.15 | |||
| Pvap | 1.33 | kPa | 444.15 | Calculated Property |
| Pvap | 3.01 | kPa | 464.93 | Calculated Property |
| Pvap | 6.22 | kPa | 485.71 | Calculated Property |
| Pvap | 11.93 | kPa | 506.48 | Calculated Property |
| Pvap | 21.47 | kPa | 527.26 | Calculated Property |
| Pvap | 36.55 | kPa | 548.04 | Calculated Property |
| Pvap | 59.33 | kPa | 568.82 | Calculated Property |
| Pvap | 92.36 | kPa | 589.59 | Calculated Property |
| Pvap | 138.64 | kPa | 610.37 | Calculated Property |
| Pvap | 201.52 | kPa | 631.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Diphenylhexane.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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