- InChI
- InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
- InChI Key
- GVIJJXMXTUZIOD-UHFFFAOYSA-N
- Formula
- C12H8S2
- SMILES
- c1ccc2c(c1)Sc1ccccc1S2
- Molecular Weight1
- 216.32
- CAS
- 92-85-3
- Other Names
-
- 9,10-Dithiaanthracene
- Thiaanthrene
- Thianthren
- di-o-phenylene disulfide
- dibenzo-1,4-dithiin
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-7256.00; -7235.40] | kJ/mol |
|
| ΔcH°solid | -7256.00 ± 4.80 | kJ/mol | NIST |
| ΔcH°solid | -7253.30 ± 1.40 | kJ/mol | NIST |
| ΔcH°solid | -7252.50 ± 2.20 | kJ/mol | NIST |
| ΔcH°solid | -7252.09 | kJ/mol | NIST |
| ΔcH°solid | -7250.30 ± 2.90 | kJ/mol | NIST |
| ΔcH°solid | -7250.70 ± 1.60 | kJ/mol | NIST |
| ΔcH°solid | Outlier -7235.40 ± 0.67 | kJ/mol | NIST |
| ΔfG° | 416.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 348.93 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [181.30; 186.60] | kJ/mol |
|
| ΔfH°solid | 186.60 ± 4.80 | kJ/mol | NIST |
| ΔfH°solid | 184.20 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | 182.60 ± 1.30 | kJ/mol | NIST |
| ΔfH°solid | 181.30 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 20.62 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [99.39; 99.40] | kJ/mol |
|
| ΔsubH° | 99.39 ± 0.56 | kJ/mol | NIST |
| ΔsubH° | 99.40 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 59.86 | kJ/mol | Joback Calculated Property |
| IE | [7.70; 7.93] | eV |
|
| IE | 7.80 | eV | NIST |
| IE | 7.70 | eV | NIST |
| IE | 7.80 ± 0.03 | eV | NIST |
| IE | 7.90 | eV | NIST |
| IE | 7.93 | eV | NIST |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.302 | Crippen Calculated Property | |
| McVol | 154.260 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Inp | [327.90; 1909.00] |
|
|
| Inp | 1901.00 | NIST | |
| Inp | 1883.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1901.00 | NIST | |
| Inp | 1901.00 | NIST | |
| Inp | 327.90 | NIST | |
| Inp | 328.58 | NIST | |
| Inp | 330.13 | NIST | |
| Inp | 1883.00 | NIST | |
| Inp | 327.90 | NIST | |
| S°solid,1 bar | 230.89 | J/mol×K | NIST |
| Tboil | 639.20 | K | NIST |
| Tc | 927.46 | K | Joback Calculated Property |
| Tfus | [429.00; 429.85] | K |
|
| Tfus | 429.00 ± 1.00 | K | NIST |
| Tfus | 429.85 ± 0.50 | K | NIST |
| Ttriple | [428.43; 429.57] | K |
|
| Ttriple | 429.57 ± 0.00 | K | NIST |
| Ttriple | 428.43 ± 0.38 | K | NIST |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.58; 406.63] | J/mol×K | [640.08; 927.46] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 340 350 360 370 380 390 400 410 700 800 900 | ||||
| Cp,gas | 343.58 | J/mol×K | 640.08 | Joback Calculated Property |
| Cp,gas | 356.64 | J/mol×K | 687.98 | Joback Calculated Property |
| Cp,gas | 368.41 | J/mol×K | 735.87 | Joback Calculated Property |
| Cp,gas | 379.09 | J/mol×K | 783.77 | Joback Calculated Property |
| Cp,gas | 388.89 | J/mol×K | 831.67 | Joback Calculated Property |
| Cp,gas | 398.00 | J/mol×K | 879.57 | Joback Calculated Property |
| Cp,gas | 406.63 | J/mol×K | 927.46 | Joback Calculated Property |
| Cp,solid | [220.17; 224.97] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 220.17 | J/mol×K | 298.15 | NIST |
| Cp,solid | 224.97 | J/mol×K | 298.15 | NIST |
| ΔfusH | [27.55; 27.56] | kJ/mol | [429.58; 429.60] |
|
| ΔfusH | 27.56 | kJ/mol | 429.58 | NIST |
| ΔfusH | 27.55 | kJ/mol | 429.60 | NIST |
| ΔfusH | 27.55 | kJ/mol | 429.60 | NIST |
| ΔsubH | [97.50; 103.60] | kJ/mol | [350.00; 393.00] |
|
| ΔsubH | 103.60 ± 0.40 | kJ/mol | 350.00 | NIST |
| ΔsubH | 98.60 ± 0.50 | kJ/mol | 353.00 | NIST |
| ΔsubH | 97.50 ± 6.30 | kJ/mol | 353.00 | NIST |
| ΔsubH | 98.00 | kJ/mol | 393.00 | NIST |
| ΔvapH | [61.70; 72.70] | kJ/mol | [438.00; 517.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 62 64 66 68 70 72 440 460 480 500 | ||||
| ΔvapH | 71.10 | kJ/mol | 438.00 | NIST |
| ΔvapH | 71.20 | kJ/mol | 444.50 | NIST |
| ΔvapH | 68.40 | kJ/mol | 499.50 | NIST |
| ΔvapH | 68.70 | kJ/mol | 511.50 | NIST |
| ΔvapH | 69.10 | kJ/mol | 511.50 | NIST |
| ΔvapH | 67.20 | kJ/mol | 517.00 | NIST |
| ΔvapH | 64.50 | kJ/mol | 517.00 | NIST |
| ΔvapH | 61.70 | kJ/mol | 517.00 | NIST |
| ΔvapH | 72.70 | kJ/mol | 517.00 | NIST |
| ΔvapH | 69.90 | kJ/mol | 517.00 | NIST |
| Psub | [1.61e-04; 1.20e-03] | kPa | [344.27; 364.06] |
|
|
T(K) Sublimation pressure (kPa) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 345 350 355 360 | ||||
| Psub | 1.63e-04 | kPa | 344.27 | Thermod... |
| Psub | 1.61e-04 | kPa | 344.27 | Thermod... |
| Psub | 1.61e-04 | kPa | 344.27 | Thermod... |
| Psub | 2.00e-04 | kPa | 346.12 | Thermod... |
| Psub | 1.98e-04 | kPa | 346.12 | Thermod... |
| Psub | 1.97e-04 | kPa | 346.12 | Thermod... |
| Psub | 2.39e-04 | kPa | 348.10 | Thermod... |
| Psub | 2.46e-04 | kPa | 348.10 | Thermod... |
| Psub | 2.43e-04 | kPa | 348.10 | Thermod... |
| Psub | 2.99e-04 | kPa | 350.26 | Thermod... |
| Psub | 3.01e-04 | kPa | 350.26 | Thermod... |
| Psub | 2.99e-04 | kPa | 350.26 | Thermod... |
| Psub | 3.70e-04 | kPa | 352.11 | Thermod... |
| Psub | 3.68e-04 | kPa | 352.11 | Thermod... |
| Psub | 3.62e-04 | kPa | 352.11 | Thermod... |
| Psub | 4.39e-04 | kPa | 354.10 | Thermod... |
| Psub | 4.46e-04 | kPa | 354.10 | Thermod... |
| Psub | 4.47e-04 | kPa | 354.10 | Thermod... |
| Psub | 5.49e-04 | kPa | 356.26 | Thermod... |
| Psub | 5.60e-04 | kPa | 356.26 | Thermod... |
| Psub | 5.55e-04 | kPa | 356.26 | Thermod... |
| Psub | 6.80e-04 | kPa | 358.10 | Thermod... |
| Psub | 6.87e-04 | kPa | 358.10 | Thermod... |
| Psub | 6.69e-04 | kPa | 358.10 | Thermod... |
| Psub | 9.92e-04 | kPa | 362.05 | Thermod... |
| Psub | 9.95e-04 | kPa | 362.05 | Thermod... |
| Psub | 9.73e-04 | kPa | 362.05 | Thermod... |
| Psub | 1.20e-03 | kPa | 364.06 | Thermod... |
| Psub | 1.20e-03 | kPa | 364.06 | Thermod... |
| Psub | 1.17e-03 | kPa | 364.06 | Thermod... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 477.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.64; 202.63] | kPa | [460.00; 674.28] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.86659e+01 | |||
| Coefficient B | -9.49527e+03 | |||
| Coefficient C | 3.67360e+01 | |||
| Temperature range, min. | 460.00 | |||
| Temperature range, max. | 674.28 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600 650 | ||||
| Pvap | 0.64 | kPa | 460.00 | Calculated Property |
| Pvap | 1.53 | kPa | 483.81 | Calculated Property |
| Pvap | 3.40 | kPa | 507.62 | Calculated Property |
| Pvap | 7.05 | kPa | 531.43 | Calculated Property |
| Pvap | 13.82 | kPa | 555.24 | Calculated Property |
| Pvap | 25.69 | kPa | 579.04 | Calculated Property |
| Pvap | 45.61 | kPa | 602.85 | Calculated Property |
| Pvap | 77.70 | kPa | 626.66 | Calculated Property |
| Pvap | 127.58 | kPa | 650.47 | Calculated Property |
| Pvap | 202.63 | kPa | 674.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Thianthrene.
Mixtures
- Thianthrene + Nonane
- Thianthrene + Decane
- Thianthrene + Undecane
- Thianthrene + Hexadecane
- Thianthrene + Ethyl ether
- Thianthrene + Diisopropyl ether
- Thianthrene + 1,4-Dioxane
- Thianthrene + 1-Decanol
- Thianthrene + 1,2-Ethanediol
- Thianthrene + Acetonitrile
Sources
- Crippen Method
- Crippen Method
- Solubility of 9-fluorenone, thianthrene and xanthene in organic solvents
- Redesigning the rotating-bomb combustion calorimeter
- Experimental and computational thermochemical study of two fluorobenzazoles: 5-fluoro-2-methylbenzoxazole and 5-fluoro-2-methylbenzothiazole
- Thermodynamic Study on the Sublimation of Anthracene-Like Compounds
- Sulfur-Containing Ionic Liquids. Rotating-Bomb Combustion Calorimetry and First-Principles Calculations for 1-Ethyl-3-methylimidazolium Thiocyanate
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.