- InChI
- InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
- InChI Key
- CUFNKYGDVFVPHO-UHFFFAOYSA-N
- Formula
- C10H8
- SMILES
- c1ccc2cccc-2cc1
- Molecular Weight1
- 128.17
- CAS
- 275-51-4
- Other Names
-
- Azunamic
- Azusalen [as sodium sulfonate]
- BICYCLO(5.3.0)-DECA-2,4,6,8,10-PENTAENE
- Bicyclo(0.3.5)deca-1,3,5,7,9-pentaene
- Bicyclo(5.3.0)-1,3,5,7,9-decapentaene
- Bicyclo[5.3.0]decapentaene
- Cyclopentacycloheptene
- bicyclo[0.3.5]deca-1,3,5,7,9-pentaene
- bicyclo[5.3.0]deca-2,4,6,8,10-pentaene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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°solid : Solid 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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.
- 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 | 0.3272 | Relay (1.0) Calculated Property | |
| PAff | [925.20; 927.60] | kJ/mol |
|
| PAff | 925.20 | kJ/mol | NIST |
| PAff | 927.60 | kJ/mol | NIST |
| BasG | [896.00; 896.60] | kJ/mol |
|
| BasG | 896.00 | kJ/mol | NIST |
| BasG | 896.60 | kJ/mol | NIST |
| ΔcH°liquid | -5293.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°solid | -5290.70 | kJ/mol | NIST |
| EA | [0.46; 0.80] | eV |
|
| EA | 0.79 ± 0.01 | eV | NIST |
| EA | 0.69 ± 0.10 | eV | NIST |
| EA | 0.80 ± 0.10 | eV | NIST |
| EA | 0.69 ± 0.04 | eV | NIST |
| EA | 0.68 ± 0.04 | eV | NIST |
| EA | 0.66 ± 0.01 | eV | NIST |
| EA | 0.52 ± 0.01 | eV | NIST |
| EA | 0.46 | eV | NIST |
| ΔfG° | 252.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [280.00; 308.00] | kJ/mol |
|
| ΔfH°gas | 308.00 | kJ/mol | NIST |
| ΔfH°gas | 280.00 | kJ/mol | NIST |
| ΔfH°solid | 212.00 | kJ/mol | NIST |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [68.00; 95.48] | kJ/mol |
|
| ΔsubH° | 72.70 | kJ/mol | NIST |
| ΔsubH° | 82.90 | kJ/mol | NIST |
| ΔsubH° | 75.30 | kJ/mol | NIST |
| ΔsubH° | 76.80 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 95.40 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 95.48 ± 0.42 | kJ/mol | NIST |
| ΔsubH° | 68.00 | kJ/mol | NIST |
| ΔvapH° | [52.80; 63.80] | kJ/mol |
|
| ΔvapH° | 52.80 | kJ/mol | NIST |
| ΔvapH° | 63.80 ± 0.20 | kJ/mol | NIST |
| IE | [7.32; 7.44] | eV |
|
| IE | 7.42 ± 0.02 | eV | NIST |
| IE | 7.38 ± 0.03 | eV | NIST |
| IE | Outlier 7.32 ± 0.05 | eV | NIST |
| IE | 7.41 ± 0.05 | eV | NIST |
| IE | 7.43 ± 0.04 | eV | NIST |
| IE | 7.43 ± 0.01 | eV | NIST |
| IE | 7.42 ± 0.05 | eV | NIST |
| IE | 7.41 | eV | NIST |
| IE | 7.41 | eV | NIST |
| IE | 7.43 ± 0.01 | eV | NIST |
| IE | 7.40 | eV | NIST |
| IE | 7.42 | eV | NIST |
| IE | 7.44 ± 0.03 | eV | NIST |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.791 | Crippen Calculated Property | |
| McVol | 108.540 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Inp | [219.95; 1329.70] |
|
|
| Inp | 1326.00 | NIST | |
| Inp | 1329.70 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1299.00 | NIST | |
| Inp | 223.74 | NIST | |
| Inp | 219.95 | NIST | |
| Inp | 223.74 | NIST | |
| I | [1706.00; 1746.00] |
|
|
| I | 1706.00 | NIST | |
| I | 1729.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1736.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1736.00 | NIST | |
| Tboil | 515.20 | K | NIST |
| Tc | 739.46 | K | Relay (1.0) Calculated Property |
| Tfus | [303.65; 373.00] | K |
|
| Tfus | 373.00 ± 2.00 | K | NIST |
| Tfus | 303.65 ± 1.00 | K | NIST |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.58; 277.18] | J/mol×K | [473.86; 711.47] |
|
| Cp,gas | 209.58 | J/mol×K | 473.86 | Joback Calculated Property |
| Cp,gas | 223.38 | J/mol×K | 513.46 | Joback Calculated Property |
| Cp,gas | 236.07 | J/mol×K | 553.06 | Joback Calculated Property |
| Cp,gas | 247.71 | J/mol×K | 592.67 | Joback Calculated Property |
| Cp,gas | 258.39 | J/mol×K | 632.27 | Joback Calculated Property |
| Cp,gas | 268.18 | J/mol×K | 671.87 | Joback Calculated Property |
| Cp,gas | 277.18 | J/mol×K | 711.47 | Joback Calculated Property |
| η | [0.0003173; 0.0017226] | Pa×s | [261.58; 473.86] |
|
| η | 0.0017226 | Pa×s | 261.58 | Joback Calculated Property |
| η | 0.0010984 | Pa×s | 296.96 | Joback Calculated Property |
| η | 0.0007708 | Pa×s | 332.34 | Joback Calculated Property |
| η | 0.0005791 | Pa×s | 367.72 | Joback Calculated Property |
| η | 0.0004574 | Pa×s | 403.10 | Joback Calculated Property |
| η | 0.0003754 | Pa×s | 438.48 | Joback Calculated Property |
| η | 0.0003173 | Pa×s | 473.86 | Joback Calculated Property |
| ΔfusH | 17.53 | kJ/mol | 373.50 | NIST |
| ΔsubH | [75.80; 82.80] | kJ/mol | [273.00; 331.00] |
|
| ΔsubH | 75.80 | kJ/mol | 273.00 | NIST |
| ΔsubH | 78.40 ± 1.30 | kJ/mol | 304.50 | NIST |
| ΔsubH | 82.80 | kJ/mol | 331.00 | NIST |
| ΔvapH | [51.20; 81.10] | kJ/mol | [298.15; 488.00] |
|
| ΔvapH | 81.10 | kJ/mol | 298.15 | Energetics and stability of azulene: From experimental thermochemistry to high-level quantum chemical calculations |
| ΔvapH | 55.50 | kJ/mol | 398.00 | NIST |
| ΔvapH | 53.00 | kJ/mol | 442.00 | NIST |
| ΔvapH | 51.20 | kJ/mol | 488.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.60] | kPa | [389.68; 457.00] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.51604e+01 | |||
| Coefficient B | -6.61587e+03 | |||
| Coefficient C | -1.23692e+02 | |||
| Temperature range, min. | 389.68 | |||
| Temperature range, max. | 457.00 | |||
| Pvap | 1.33 | kPa | 389.68 | Calculated Property |
| Pvap | 2.63 | kPa | 397.16 | Calculated Property |
| Pvap | 5.01 | kPa | 404.64 | Calculated Property |
| Pvap | 9.23 | kPa | 412.12 | Calculated Property |
| Pvap | 16.49 | kPa | 419.60 | Calculated Property |
| Pvap | 28.61 | kPa | 427.08 | Calculated Property |
| Pvap | 48.35 | kPa | 434.56 | Calculated Property |
| Pvap | 79.72 | kPa | 442.04 | Calculated Property |
| Pvap | 128.45 | kPa | 449.52 | Calculated Property |
| Pvap | 202.60 | kPa | 457.00 | Calculated Property |
Similar Compounds
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Find more compounds similar to Azulene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Energetics and stability of azulene: From experimental thermochemistry to high-level quantum chemical calculations
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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