- InChI
- InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
- InChI Key
- BUDQDWGNQVEFAC-UHFFFAOYSA-N
- Formula
- C5H8O
- SMILES
- C1=COCCC1
- Molecular Weight1
- 84.12
- CAS
- 110-87-2
- Other Names
-
- 1,2-Pyran, 3,4-dihydro-
- 2,3-Dihydro-4H-pyran
- 2,3-Dihydropyran
- 2H-3,4-Dihydropyran
- 3,4-Dihdro-2H-pyrane
- 3,4-Dihydro-2-pyran
- 3,4-Dihydro-2H-pyran
- 3,4-Dihydropyran
- 5,6-Dihydro-4H-pyran
- NSC 57860
- Pyran, 2,3-dihydro-
- Pyran, dihydro-
- dihydro-2H-pyran
- «delta»2-Dihydropyran
- Dihydropyran
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.2392; 0.2470] |
|
|
| ω | 0.2392 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.2470 | KDB | |
| PAff | 865.80 | kJ/mol | NIST |
| BasG | 833.40 | kJ/mol | NIST |
| ΔcH°liquid | [-2963.14; -2953.00] | kJ/mol |
|
| ΔcH°liquid | -2953.00 ± 1.00 | kJ/mol | NIST |
| ΔcH°liquid | -2963.14 ± 0.80 | kJ/mol | NIST |
| μ | 1.40 | debye | KDB |
| ΔfH°gas | -112.81 ± 0.90 | kJ/mol | NIST |
| ΔfH°liquid | -147.73 ± 0.86 | kJ/mol | NIST |
| ΔfusH° | 8.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [32.00; 34.92] | kJ/mol |
|
| ΔvapH° | 32.00 | kJ/mol | NIST |
| ΔvapH° | 34.92 ± 0.04 | kJ/mol | NIST |
| ΔvapH° | 34.90 | kJ/mol | NIST |
| IE | [8.34; 8.60] | eV |
|
| IE | 8.35 ± 0.01 | eV | NIST |
| IE | 8.37 ± 0.02 | eV | NIST |
| IE | 8.35 | eV | NIST |
| IE | 8.34 ± 0.01 | eV | NIST |
| IE | 8.60 | eV | NIST |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 72.020 | ml/mol | McGowan Calculated Property |
| Pc | [4559.62; 4560.00] | kPa |
|
| Pc | 4560.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Pc | 4559.62 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 4560.00 | kPa | KDB |
| Pc | 4560.00 ± 50.66 | kPa | NIST |
| Inp | [663.00; 748.00] |
|
|
| Inp | 697.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 748.00 | NIST | |
| Ip | [974.00; 1026.00] |
|
|
| Ip | 980.00 | NIST | |
| Ip | 1000.00 | NIST | |
| Ip | Outlier 1026.00 | NIST | |
| Ip | 978.00 | NIST | |
| Ip | 974.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 980.00 | NIST | |
| Tboil | [358.85; 359.70] | K |
|
| Tboil | 359.00 | K | KDB |
| Tboil | 359.70 | K | NIST |
| Tboil | 359.00 ± 4.00 | K | NIST |
| Tboil | 359.00 ± 2.00 | K | NIST |
| Tboil | 358.85 ± 0.30 | K | NIST |
| Tc | [561.70; 562.00] | K |
|
| Tc | 562.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 561.70 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 561.70 | K | KDB |
| Tc | 561.70 ± 0.83 | K | NIST |
| Tfus | 203.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | [0.268; 0.268] | m3/kmol |
|
| Vc | 0.268 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Vc | 0.268 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.268 | m3/kmol | KDB |
| Zc | [0.2616730; 0.2620000] |
|
|
| Zc | 0.2620000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value | |
| Zc | 0.2616730 | KDB |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 |
|---|---|---|---|---|
| ΔvapH | 32.20 | kJ/mol | 280.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.05; 243.92] | 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 | -4.81000e+01 | |||
| Coefficient B | 5.68400e-01 | |||
| Coefficient C | -3.57980e-04 | |||
| Coefficient D | 8.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 82.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 111.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 138.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 160.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 180.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 197.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 212.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 224.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 235.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 243.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055232; 0.0002600] | Pa×s | [203.15; 393.24] |
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 | -1.15208e+01 | |||
| Coefficient B | 1.28431e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 203.15 | |||
| Temperature range, max. | 393.24 | |||
| η | 0.0055232 | Pa×s | 203.15 | Calculated Property |
| η | 0.0030452 | Pa×s | 224.27 | Calculated Property |
| η | 0.0018602 | Pa×s | 245.39 | Calculated Property |
| η | 0.0012286 | Pa×s | 266.51 | Calculated Property |
| η | 0.0008625 | Pa×s | 287.64 | Calculated Property |
| η | 0.0006355 | Pa×s | 308.76 | Calculated Property |
| η | 0.0004869 | Pa×s | 329.88 | Calculated Property |
| η | 0.0003852 | Pa×s | 351.00 | Calculated Property |
| η | 0.0003130 | Pa×s | 372.12 | Calculated Property |
| η | 0.0002600 | Pa×s | 393.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.63] | kPa | [251.15; 384.27] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49683e+01 | |||
| Coefficient B | -3.62279e+03 | |||
| Coefficient C | -9.12000e+00 | |||
| Temperature range, min. | 251.15 | |||
| Temperature range, max. | 384.27 | |||
| Pvap | 1.00 | kPa | 251.15 | Calculated Property |
| Pvap | 2.37 | kPa | 265.94 | Calculated Property |
| Pvap | 5.10 | kPa | 280.73 | Calculated Property |
| Pvap | 10.17 | kPa | 295.52 | Calculated Property |
| Pvap | 18.92 | kPa | 310.31 | Calculated Property |
| Pvap | 33.22 | kPa | 325.11 | Calculated Property |
| Pvap | 55.47 | kPa | 339.90 | Calculated Property |
| Pvap | 88.65 | kPa | 354.69 | Calculated Property |
| Pvap | 136.32 | kPa | 369.48 | Calculated Property |
| Pvap | 202.63 | kPa | 384.27 | Calculated Property |
| Pvap | [3.47; 100.34] | kPa | [273.15; 358.15] |
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 | 1.54163e+01 | |||
| Coefficient B | -3.87061e+03 | |||
| Coefficient C | -7.96193e-05 | |||
| Coefficient D | 1.66471e-10 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.15 | |||
| Temperature range, max. | 358.15 | |||
| Pvap | 3.47 | kPa | 273.15 | Calculated Property |
| Pvap | 5.58 | kPa | 282.59 | Calculated Property |
| Pvap | 8.69 | kPa | 292.04 | Calculated Property |
| Pvap | 13.16 | kPa | 301.48 | Calculated Property |
| Pvap | 19.44 | kPa | 310.93 | Calculated Property |
| Pvap | 28.06 | kPa | 320.37 | Calculated Property |
| Pvap | 39.65 | kPa | 329.82 | Calculated Property |
| Pvap | 54.98 | kPa | 339.26 | Calculated Property |
| Pvap | 74.88 | kPa | 348.71 | Calculated Property |
| Pvap | 100.34 | kPa | 358.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran, 3,4-dihydro-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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