- InChI
- InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
- InChI Key
- BGJSXRVXTHVRSN-UHFFFAOYSA-N
- Formula
- C3H6O3
- SMILES
- C1OCOCO1
- Molecular Weight1
- 90.08
- CAS
- 110-88-3
- Other Names
-
- 1,3,5-Trioxan
- 1,3,5-trioxacyclohexane
- Aldeform
- Formagene
- Formaldehyde, trimer
- Marvosan
- Metaformaldehyde
- NSC 26347
- Paraformaldehyde
- Triformol
- Triossimetilene
- Trioxan
- Trioxane
- Trioxin
- Trioxymethyleen
- Trioxymethylen
- s-Trioxan
- s-Trixane
- s-trioxane
- sym-Trioxane
- trioxymethylene
- 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).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- S°gas : Molar entropy at standard conditions (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-1518.00; -1492.00] | kJ/mol |
|
| ΔcH°solid | -1515.30 | kJ/mol | NIST |
| ΔcH°solid | -1515.70 ± 0.30 | kJ/mol | NIST |
| ΔcH°solid | -1492.00 ± 1.00 | kJ/mol | NIST |
| ΔcH°solid | -1518.00 | kJ/mol | NIST |
| ΔfH°gas | [-489.50; -464.00] | kJ/mol |
|
| ΔfH°gas | -465.76 ± 0.50 | kJ/mol | NIST |
| ΔfH°gas | -489.50 | kJ/mol | NIST |
| ΔfH°gas | -464.00 | kJ/mol | NIST |
| ΔfH°solid | [-546.00; -520.49] | kJ/mol |
|
| ΔfH°solid | -522.30 ± 0.40 | kJ/mol | NIST |
| ΔfH°solid | -546.00 ± 11.00 | kJ/mol | NIST |
| ΔfH°solid | -520.49 | kJ/mol | NIST |
| ΔfusH° | 18.23 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [48.50; 56.60] | kJ/mol |
|
| ΔsubH° | 55.60 | kJ/mol | NIST |
| ΔsubH° | 56.50 | kJ/mol | NIST |
| ΔsubH° | 56.60 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 56.50 | kJ/mol | NIST |
| ΔsubH° | 56.20 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | Outlier 48.50 ± 2.50 | kJ/mol | NIST |
| ΔvapH° | 39.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.30; 10.80] | eV |
|
| IE | 10.30 | eV | NIST |
| IE | 10.59 ± 0.05 | eV | NIST |
| IE | 10.80 | eV | NIST |
| logPoct/wat | -0.078 | Crippen Calculated Property | |
| McVol | 59.880 | ml/mol | McGowan Calculated Property |
| Inp | [650.00; 660.00] |
|
|
| Inp | 650.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 658.00 | NIST | |
| I | [1167.00; 1167.00] |
|
|
| I | 1167.00 | NIST | |
| I | 1167.00 | NIST | |
| S°gas | 284.90 ± 3.40 | J/mol×K | NIST |
| S°solid,1 bar | [133.00; 142.89] | J/mol×K |
|
| S°solid,1 bar | 142.89 | J/mol×K | NIST |
| S°solid,1 bar | 133.00 | J/mol×K | NIST |
| Tboil | 375.19 | K | Relay (1.0) Calculated Property |
| Tfus | 335.65 ± 1.50 | K | NIST |
| Ttriple | 333.44 ± 0.02 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [111.40; 113.08] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 113.08 | J/mol×K | 298.15 | NIST |
| Cp,solid | 111.40 | J/mol×K | 298.15 | NIST |
| ΔfusH | [15.10; 15.11] | kJ/mol | [333.40; 333.44] |
|
| ΔfusH | 15.10 | kJ/mol | 333.40 | NIST |
| ΔfusH | 15.10 | kJ/mol | 333.40 | NIST |
| ΔfusH | 15.11 | kJ/mol | 333.40 | NIST |
| ΔfusH | 15.11 | kJ/mol | 333.44 | NIST |
| ΔsubH | 57.90 | kJ/mol | 221.50 | NIST |
| ΔvapH | 40.00 | kJ/mol | 357.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [80.82; 211.08] | 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 | -1.94200e+01 | |||
| Coefficient B | 4.28400e-01 | |||
| Coefficient C | -2.34100e-04 | |||
| Coefficient D | 3.62000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 80.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 104.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 125.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 144.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 160.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 174.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 186.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 196.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 204.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 211.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008657; 0.0003568] | Pa×s | [335.65; 409.72] |
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 | -1.19543e+01 | |||
| Coefficient B | 1.64549e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 335.65 | |||
| Temperature range, max. | 409.72 | |||
| η | 0.0008657 | Pa×s | 335.65 | Calculated Property |
| η | 0.0007699 | Pa×s | 343.88 | Calculated Property |
| η | 0.0006884 | Pa×s | 352.11 | Calculated Property |
| η | 0.0006187 | Pa×s | 360.34 | Calculated Property |
| η | 0.0005588 | Pa×s | 368.57 | Calculated Property |
| η | 0.0005068 | Pa×s | 376.80 | Calculated Property |
| η | 0.0004617 | Pa×s | 385.03 | Calculated Property |
| η | 0.0004222 | Pa×s | 393.26 | Calculated Property |
| η | 0.0003875 | Pa×s | 401.49 | Calculated Property |
| η | 0.0003568 | Pa×s | 409.72 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [288.76; 412.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47991e+01 | |||
| Coefficient B | -3.39060e+03 | |||
| Coefficient C | -5.51110e+01 | |||
| Temperature range, min. | 288.76 | |||
| Temperature range, max. | 412.48 | |||
| Pvap | 1.33 | kPa | 288.76 | Calculated Property |
| Pvap | 2.99 | kPa | 302.51 | Calculated Property |
| Pvap | 6.14 | kPa | 316.25 | Calculated Property |
| Pvap | 11.76 | kPa | 330.00 | Calculated Property |
| Pvap | 21.16 | kPa | 343.75 | Calculated Property |
| Pvap | 36.10 | kPa | 357.49 | Calculated Property |
| Pvap | 58.78 | kPa | 371.24 | Calculated Property |
| Pvap | 91.90 | kPa | 384.99 | Calculated Property |
| Pvap | 138.64 | kPa | 398.73 | Calculated Property |
| Pvap | 202.64 | kPa | 412.48 | Calculated Property |
| Pvap | [11.31; 5791.65] | kPa | [329.00; 604.40] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.45411e+01 | |||
| Coefficient B | -7.85949e+03 | |||
| Coefficient C | -1.01570e+01 | |||
| Coefficient D | 5.95284e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 329.00 | |||
| Temperature range, max. | 604.40 | |||
| Pvap | 11.31 | kPa | 329.00 | Calculated Property |
| Pvap | 39.68 | kPa | 359.60 | Calculated Property |
| Pvap | 110.17 | kPa | 390.20 | Calculated Property |
| Pvap | 256.62 | kPa | 420.80 | Calculated Property |
| Pvap | 523.03 | kPa | 451.40 | Calculated Property |
| Pvap | 961.82 | kPa | 482.00 | Calculated Property |
| Pvap | 1633.08 | kPa | 512.60 | Calculated Property |
| Pvap | 2605.42 | kPa | 543.20 | Calculated Property |
| Pvap | 3959.17 | kPa | 573.80 | Calculated Property |
| Pvap | 5791.65 | kPa | 604.40 | Calculated Property |
Similar Compounds
![Ethane, 1,1'-[methylenebis(oxy)]bis-.](data:image/png;base64,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)
Find more compounds similar to 1,3,5-Trioxane.
Mixtures
- 1,3,5-Trioxane + Water
- Formaldehyde + 1,3,5-Trioxane + Water
- 1,3,5-Trioxane + Methyl Alcohol
- Ethanol + 1,3,5-Trioxane
- 2-Propanol + 1,3,5-Trioxane
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Partial molar volumes of organic solutes in water. XXI: Cyclic ethers at temperatures T = (278 to 373) K and at low pressure
- Partial molar volumes of organic solutes in water. XXII. Cyclic ethers at temperatures (298 to 573) K and pressures up to 30 MPa
- Solubility of Formaldehyde and Trioxane in Aqueous Solutions
- Solubility of 1,3,5-Trioxane in Methanol, Ethanol, and 2-Propanol
- New Experimental Results for the Vapor-Liquid Equilibrium of the Binary System (Trioxane + Water) and the Ternary System (Formaldehyde + Trioxane + Water)
- Partial Molar Isentropic Compressions of Selected Cyclic Ethers at Infinite Dilution in Water at Temperatures T = (278 to 318) K and Atmospheric Pressure
- Joback Method
- KDB
- 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.
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