- InChI
- InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-4,7-8H,5-6H2/b3-1-,4-2-,8-7-
- InChI Key
- LHNSMWDERKGLJK-DKPWQKSPSA-N
- Formula
- C8H10
- SMILES
- C1=CCC=CCC=C1
- Molecular Weight1
- 106.17
- CAS
- 3725-30-2
- Other Names
-
- 1,4,6-Cyclooctatriene
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 114.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 196.30 | kJ/mol | NIST |
| ΔfusH° | 6.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.36 | kJ/mol | Joback Calculated Property |
| IE | 8.50 | eV | NIST |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.449 | Crippen Calculated Property | |
| McVol | 99.820 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Tboil | 412.68 | K | Joback Calculated Property |
| Tc | 638.83 | K | Joback Calculated Property |
| Tfus | 214.00 ± 8.00 | K | NIST |
| Vc | 0.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.70; 249.79] | J/mol×K | [412.68; 638.83] | 
|
| Cp,gas | 170.70 | J/mol×K | 412.68 | Joback Calculated Property |
| Cp,gas | 186.04 | J/mol×K | 450.37 | Joback Calculated Property |
| Cp,gas | 200.49 | J/mol×K | 488.06 | Joback Calculated Property |
| Cp,gas | 214.07 | J/mol×K | 525.76 | Joback Calculated Property |
| Cp,gas | 226.79 | J/mol×K | 563.45 | Joback Calculated Property |
| Cp,gas | 238.69 | J/mol×K | 601.14 | Joback Calculated Property |
| Cp,gas | 249.79 | J/mol×K | 638.83 | Joback Calculated Property |
| η | [0.0001978; 0.0200035] | Pa×s | [186.78; 412.68] |
|
| η | 0.0200035 | Pa×s | 186.78 | Joback Calculated Property |
| η | 0.0048607 | Pa×s | 224.43 | Joback Calculated Property |
| η | 0.0017735 | Pa×s | 262.08 | Joback Calculated Property |
| η | 0.0008336 | Pa×s | 299.73 | Joback Calculated Property |
| η | 0.0004637 | Pa×s | 337.38 | Joback Calculated Property |
| η | 0.0002902 | Pa×s | 375.03 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 412.68 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.20 | K | 8.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [304.71; 445.50] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41591e+01 | |||
| Coefficient B | -3.43935e+03 | |||
| Coefficient C | -5.67670e+01 | |||
| Temperature range, min. | 304.71 | |||
| Temperature range, max. | 445.50 | |||
| Pvap | 1.33 | kPa | 304.71 | Calculated Property |
| Pvap | 3.04 | kPa | 320.35 | Calculated Property |
| Pvap | 6.31 | kPa | 336.00 | Calculated Property |
| Pvap | 12.13 | kPa | 351.64 | Calculated Property |
| Pvap | 21.82 | kPa | 367.28 | Calculated Property |
| Pvap | 37.12 | kPa | 382.93 | Calculated Property |
| Pvap | 60.14 | kPa | 398.57 | Calculated Property |
| Pvap | 93.42 | kPa | 414.21 | Calculated Property |
| Pvap | 139.85 | kPa | 429.86 | Calculated Property |
| Pvap | 202.66 | kPa | 445.50 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6-Cyclooctatriene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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