- InChI
- InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3
- InChI Key
- CGMDPTNRMYIZTM-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- CC=CC=CC=CC
- Molecular Weight1
- 108.18
- CAS
- 764-75-0
- ω : Acentric Factor.
- 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).
- 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 | 0.2493 | Relay (1.0) Calculated Property | |
| ΔfG° | 257.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.695 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Tboil | 401.00 ± 7.00 | K | NIST |
| Tc | 580.50 | K | Relay (1.0) Calculated Property |
| Tfus | 325.70 ± 2.00 | K | NIST |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.18; 340.31] | 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 | -4.69300e+01 | |||
| Coefficient B | 8.23840e-01 | |||
| Coefficient C | -6.62800e-04 | |||
| Coefficient D | 2.26200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 171.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 204.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 232.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 256.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 277.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 295.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 311.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 326.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 340.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002338; 0.0001250] | Pa×s | [325.70; 409.90] |
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 | -1.14082e+01 | |||
| Coefficient B | 9.92440e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 325.70 | |||
| Temperature range, max. | 409.90 | |||
| η | 0.0002338 | Pa×s | 325.70 | Calculated Property |
| η | 0.0002147 | Pa×s | 335.06 | Calculated Property |
| η | 0.0001981 | Pa×s | 344.41 | Calculated Property |
| η | 0.0001836 | Pa×s | 353.77 | Calculated Property |
| η | 0.0001708 | Pa×s | 363.12 | Calculated Property |
| η | 0.0001595 | Pa×s | 372.48 | Calculated Property |
| η | 0.0001494 | Pa×s | 381.84 | Calculated Property |
| η | 0.0001404 | Pa×s | 391.19 | Calculated Property |
| η | 0.0001323 | Pa×s | 400.55 | Calculated Property |
| η | 0.0001250 | Pa×s | 409.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-octatriene.
Sources
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