- InChI
- InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
- InChI Key
- UVJHQYIOXKWHFD-UHFFFAOYSA-N
- Formula
- C6H8
- SMILES
- C1=CCC=CC1
- Molecular Weight1
- 80.13
- CAS
- 628-41-1
- Other Names
-
- 1,4-Dihydrobenzene
- Cyclohexa-1,4-diene
- 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).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λ : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 837.00 | kJ/mol | NIST |
| BasG | 808.00 | kJ/mol | NIST |
| ΔcH°liquid | [-3574.08; -3570.50] | kJ/mol |
|
| ΔcH°liquid | -3570.50 ± 3.00 | kJ/mol | NIST |
| ΔcH°liquid | -3574.08 ± 0.48 | kJ/mol | NIST |
| ΔfG° | 91.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [100.40; 109.00] | kJ/mol |
|
| ΔfH°gas | 100.40 ± 3.10 | kJ/mol | NIST |
| ΔfH°gas | 109.00 | kJ/mol | NIST |
| ΔfH°gas | 104.75 ± 0.59 | kJ/mol | NIST |
| ΔfH°liquid | [66.10; 69.70] | kJ/mol |
|
| ΔfH°liquid | 66.10 ± 3.10 | kJ/mol | NIST |
| ΔfH°liquid | 69.70 ± 0.58 | kJ/mol | NIST |
| ΔfusH° | 4.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [34.30; 35.10] | kJ/mol |
|
| ΔvapH° | 34.30 | kJ/mol | NIST |
| ΔvapH° | 34.30 | kJ/mol | NIST |
| ΔvapH° | 35.05 ± 0.04 | kJ/mol | NIST |
| ΔvapH° | 35.10 | kJ/mol | NIST |
| IE | [8.65; 8.82] | eV |
|
| IE | 8.82 | eV | NIST |
| IE | 8.82 ± 0.02 | eV | NIST |
| IE | 8.82 ± 0.02 | eV | NIST |
| IE | Outlier 8.65 ± 0.05 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.82 | eV | NIST |
| IE | 8.82 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.82 | eV | NIST |
| log10WS | [-2.06; -1.97] |
|
|
| log10WS | -1.97 | Aq. Sol... | |
| log10WS | -2.06 | Estimat... | |
| logPoct/wat | 1.893 | Crippen Calculated Property | |
| McVol | 75.940 | ml/mol | McGowan Calculated Property |
| Pc | 4540.80 | kPa | Joback Calculated Property |
| Inp | [685.00; 738.00] |
|
|
| Inp | 725.30 | NIST | |
| Inp | 724.90 | NIST | |
| Inp | 709.20 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 729.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | Outlier 738.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | Outlier 738.00 | NIST | |
| I | [914.00; 939.00] |
|
|
| I | 932.00 | NIST | |
| I | 939.00 | NIST | |
| I | 939.00 | NIST | |
| I | 914.00 | NIST | |
| I | 939.00 | NIST | |
| S°liquid | 189.37 | J/mol×K | NIST |
| Tboil | [354.70; 362.70] | K |
|
| Tboil | 354.70 | K | NIST |
| Tboil | 362.70 ± 0.20 | K | NIST |
| Tboil | 362.55 ± 0.30 | K | NIST |
| Tc | 568.24 | K | Joback Calculated Property |
| Tfus | [222.83; 351.00] | K |
|
| Tfus | 224.05 | K | Aq. Sol... |
| Tfus | 222.83 ± 0.20 | K | NIST |
| Tfus | 351.00 ± 4.00 | K | NIST |
| Ttriple | 224.00 ± 0.20 | K | NIST |
| Vc | 0.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.28; 174.29] | J/mol×K | [359.22; 568.24] |
|
| Cp,gas | 112.28 | J/mol×K | 359.22 | Joback Calculated Property |
| Cp,gas | 124.27 | J/mol×K | 394.06 | Joback Calculated Property |
| Cp,gas | 135.57 | J/mol×K | 428.89 | Joback Calculated Property |
| Cp,gas | 146.19 | J/mol×K | 463.73 | Joback Calculated Property |
| Cp,gas | 156.16 | J/mol×K | 498.57 | Joback Calculated Property |
| Cp,gas | 165.52 | J/mol×K | 533.40 | Joback Calculated Property |
| Cp,gas | 174.29 | J/mol×K | 568.24 | Joback Calculated Property |
| Cp,liquid | [142.20; 145.94] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 142.20 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 145.94 | J/mol×K | 298.15 | NIST |
| η | [0.0002528; 0.0065358] | Pa×s | [170.52; 359.22] |
|
| η | 0.0065358 | Pa×s | 170.52 | Joback Calculated Property |
| η | 0.0024921 | Pa×s | 201.97 | Joback Calculated Property |
| η | 0.0012321 | Pa×s | 233.42 | Joback Calculated Property |
| η | 0.0007201 | Pa×s | 264.87 | Joback Calculated Property |
| η | 0.0004717 | Pa×s | 296.32 | Joback Calculated Property |
| η | 0.0003351 | Pa×s | 327.77 | Joback Calculated Property |
| η | 0.0002528 | Pa×s | 359.22 | Joback Calculated Property |
| ΔfusH | [0.82; 5.72] | kJ/mol | [192.00; 224.00] |
|
| ΔfusH | 0.82 | kJ/mol | 192.00 | NIST |
| ΔfusH | 5.72 | kJ/mol | 224.00 | NIST |
| ΔfusH | 5.72 | kJ/mol | 224.00 | NIST |
| ΔvapH | [33.90; 34.00] | kJ/mol | [313.00; 332.00] |
|
| ΔvapH | 33.90 | kJ/mol | 313.00 | NIST |
| ΔvapH | 34.00 | kJ/mol | 332.00 | NIST |
| ΔfusS | [4.25; 25.51] | J/mol×K | [192.00; 224.00] |
|
| ΔfusS | 4.25 | J/mol×K | 192.00 | NIST |
| ΔfusS | 25.51 | J/mol×K | 224.00 | NIST |
| λ | [0.13; 0.16] | W/m×K | [258.46; 328.93] |
|
| λ | 0.16 | W/m×K | 258.46 | Thermal... |
| λ | 0.16 | W/m×K | 258.67 | Thermal... |
| λ | 0.16 | W/m×K | 258.82 | Thermal... |
| λ | 0.16 | W/m×K | 264.86 | Thermal... |
| λ | 0.16 | W/m×K | 265.08 | Thermal... |
| λ | 0.16 | W/m×K | 265.23 | Thermal... |
| λ | 0.15 | W/m×K | 279.38 | Thermal... |
| λ | 0.15 | W/m×K | 279.60 | Thermal... |
| λ | 0.15 | W/m×K | 279.76 | Thermal... |
| λ | 0.15 | W/m×K | 296.20 | Thermal... |
| λ | 0.15 | W/m×K | 296.43 | Thermal... |
| λ | 0.15 | W/m×K | 296.60 | Thermal... |
| λ | 0.14 | W/m×K | 313.90 | Thermal... |
| λ | 0.14 | W/m×K | 314.13 | Thermal... |
| λ | 0.14 | W/m×K | 314.31 | Thermal... |
| λ | 0.13 | W/m×K | 328.51 | Thermal... |
| λ | 0.13 | W/m×K | 328.75 | Thermal... |
| λ | 0.13 | W/m×K | 328.93 | Thermal... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [276.86; 366.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42725e+01 | |||
| Coefficient B | -2.23809e+03 | |||
| Coefficient C | -1.16823e+02 | |||
| Temperature range, min. | 276.86 | |||
| Temperature range, max. | 366.58 | |||
| Pvap | 1.33 | kPa | 276.86 | Calculated Property |
| Pvap | 3.03 | kPa | 286.83 | Calculated Property |
| Pvap | 6.28 | kPa | 296.80 | Calculated Property |
| Pvap | 12.06 | kPa | 306.77 | Calculated Property |
| Pvap | 21.70 | kPa | 316.74 | Calculated Property |
| Pvap | 36.93 | kPa | 326.70 | Calculated Property |
| Pvap | 59.89 | kPa | 336.67 | Calculated Property |
| Pvap | 93.14 | kPa | 346.64 | Calculated Property |
| Pvap | 139.62 | kPa | 356.61 | Calculated Property |
| Pvap | 202.65 | kPa | 366.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Cyclohexadiene.
Sources
- Crippen Method
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Thermal Conductivity and Thermal Diffusivity of Twenty-Nine Liquids: Alkenes, Cyclic (Alkanes, Alkenes, Alkadienes, Aromatics), and Deuterated Hydrocarbons
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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