- InChI
- InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
- InChI Key
- KDUIUFJBNGTBMD-BONZMOEMSA-N
- Formula
- C8H8
- SMILES
- C1=CC=CC=CC=C1
- Molecular Weight1
- 104.15
- CAS
- 629-20-9
- Other Names
-
- Cyclooctatetraene
- UN 2358
- [8]Annulene
- 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).
- EA : Electron affinity (eV).
- 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°gas : Molar entropy at standard conditions (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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-4545.92; -4539.00] | kJ/mol |
|
| ΔcH°liquid | -4539.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°liquid | -4545.92 ± 0.92 | kJ/mol | NIST |
| EA | [0.55; 0.82] | eV |
|
| EA | 0.57 ± 0.03 | eV | NIST |
| EA | 0.55 ± 0.02 | eV | NIST |
| EA | 0.65 ± 0.04 | eV | NIST |
| EA | 0.58 ± 0.10 | eV | NIST |
| EA | Outlier 0.82 | eV | NIST |
| EA | 0.58 ± 0.04 | eV | NIST |
| ΔfG° | 144.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 297.60 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | 254.50 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 7.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.10; 43.10] | kJ/mol |
|
| ΔvapH° | 43.10 ± 0.31 | kJ/mol | NIST |
| ΔvapH° | 43.10 | kJ/mol | NIST |
| IE | [7.99; 8.43] | eV |
|
| IE | 8.03 | eV | NIST |
| IE | 8.00 | eV | NIST |
| IE | 8.21 | eV | NIST |
| IE | 8.04 | eV | NIST |
| IE | 7.99 ± 0.02 | eV | NIST |
| IE | 8.43 | eV | NIST |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.225 | Crippen Calculated Property | |
| McVol | 95.520 | ml/mol | McGowan Calculated Property |
| Pc | 4140.93 | kPa | Joback Calculated Property |
| Inp | [846.00; 894.00] |
|
|
| Inp | 850.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 880.00 | NIST | |
| I | [1199.00; 1264.00] |
|
|
| I | 1244.00 | NIST | |
| I | 1244.00 | NIST | |
| I | 1264.00 | NIST | |
| I | 1226.00 | NIST | |
| I | 1244.00 | NIST | |
| I | Outlier 1199.00 | NIST | |
| I | 1226.00 | NIST | |
| I | 1244.00 | NIST | |
| S°gas | 326.80 ± 1.50 | J/mol×K | NIST |
| S°liquid | 220.29 | J/mol×K | NIST |
| Tboil | [415.70; 416.00] | K |
|
| Tboil | 415.70 | K | NIST |
| Tboil | 416.00 ± 4.00 | K | NIST |
| Tc | 640.50 | K | Joback Calculated Property |
| Tfus | [265.00; 266.00] | K |
|
| Tfus | 265.00 ± 1.50 | K | NIST |
| Tfus | 266.00 ± 3.00 | K | NIST |
| Ttriple | 268.48 ± 0.01 | K | NIST |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.51; 228.49] | J/mol×K | [411.84; 640.50] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 160 170 180 190 200 210 220 230 450 500 550 600 | ||||
| Cp,gas | 157.51 | J/mol×K | 411.84 | Joback Calculated Property |
| Cp,gas | 171.42 | J/mol×K | 449.95 | Joback Calculated Property |
| Cp,gas | 184.46 | J/mol×K | 488.06 | Joback Calculated Property |
| Cp,gas | 196.66 | J/mol×K | 526.17 | Joback Calculated Property |
| Cp,gas | 208.05 | J/mol×K | 564.28 | Joback Calculated Property |
| Cp,gas | 218.65 | J/mol×K | 602.39 | Joback Calculated Property |
| Cp,gas | 228.49 | J/mol×K | 640.50 | Joback Calculated Property |
| Cp,liquid | 185.18 | J/mol×K | 298.15 | NIST |
| η | [0.0001878; 0.0137901] | Pa×s | [187.54; 411.84] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 0.01 0.01 200 300 400 | ||||
| η | 0.0137901 | Pa×s | 187.54 | Joback Calculated Property |
| η | 0.0037168 | Pa×s | 224.92 | Joback Calculated Property |
| η | 0.0014557 | Pa×s | 262.31 | Joback Calculated Property |
| η | 0.0007203 | Pa×s | 299.69 | Joback Calculated Property |
| η | 0.0004167 | Pa×s | 337.07 | Joback Calculated Property |
| η | 0.0002688 | Pa×s | 374.46 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 411.84 | Joback Calculated Property |
| ΔfusH | [11.25; 11.27] | kJ/mol | [268.48; 268.50] |
|
| ΔfusH | 11.27 | kJ/mol | 268.48 | NIST |
| ΔfusH | 11.25 | kJ/mol | 268.50 | NIST |
| ΔfusH | 11.27 | kJ/mol | 268.50 | NIST |
| ΔvapH | 43.90 | kJ/mol | 310.50 | NIST |
| ΔfusS | 41.49 | J/mol×K | 268.48 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [302.10; 428.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49287e+01 | |||
| Coefficient B | -3.53287e+03 | |||
| Coefficient C | -6.08070e+01 | |||
| Temperature range, min. | 302.10 | |||
| Temperature range, max. | 428.15 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 302.10 | Calculated Property |
| Pvap | 2.98 | kPa | 316.11 | Calculated Property |
| Pvap | 6.11 | kPa | 330.11 | Calculated Property |
| Pvap | 11.69 | kPa | 344.12 | Calculated Property |
| Pvap | 21.03 | kPa | 358.12 | Calculated Property |
| Pvap | 35.90 | kPa | 372.13 | Calculated Property |
| Pvap | 58.51 | kPa | 386.13 | Calculated Property |
| Pvap | 91.60 | kPa | 400.14 | Calculated Property |
| Pvap | 138.40 | kPa | 414.14 | Calculated Property |
| Pvap | 202.63 | kPa | 428.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5,7-Cyclooctatetraene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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