- InChI
- InChI=1S/C5H10O3/c1-4-7-2-5(6)3-8-4/h4-6H,2-3H2,1H3/t4-,5-
- InChI Key
- RLVMGTURHNLOJX-URHBZAFASA-N
- Formula
- C5H10O3
- SMILES
- C[C@H]1OC[C@H](O)CO1
- Molecular Weight1
- 118.13
- ω : Acentric Factor.
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4776 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.260 | Crippen Calculated Property | |
| McVol | 88.060 | ml/mol | McGowan Calculated Property |
| Pc | 4743.15 | kPa | Joback Calculated Property |
| Ip | [1798.00; 1798.00] |
|
|
| Ip | 1798.00 | NIST | |
| Ip | 1798.00 | NIST | |
| Tboil | 457.10 | K | Relay (1.0) Calculated Property |
| Tc | 641.84 | K | Relay (1.0) Calculated Property |
| Tfus | 309.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.92; 326.73] | 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 | -2.13900e+01 | |||
| Coefficient B | 6.02420e-01 | |||
| Coefficient C | -2.76400e-04 | |||
| Coefficient D | 2.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 122.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 158.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 244.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 266.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 285.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 302.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 315.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 326.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0317470; 0.0002803] | Pa×s | [263.21; 469.79] |
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 | -1.42062e+01 | |||
| Coefficient B | 2.83115e+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. | 263.21 | |||
| Temperature range, max. | 469.79 | |||
| η | 0.0317470 | Pa×s | 263.21 | Calculated Property |
| η | 0.0133972 | Pa×s | 286.16 | Calculated Property |
| η | 0.0064264 | Pa×s | 309.12 | Calculated Property |
| η | 0.0034122 | Pa×s | 332.07 | Calculated Property |
| η | 0.0019663 | Pa×s | 355.02 | Calculated Property |
| η | 0.0012115 | Pa×s | 377.97 | Calculated Property |
| η | 0.0007890 | Pa×s | 400.93 | Calculated Property |
| η | 0.0005383 | Pa×s | 423.88 | Calculated Property |
| η | 0.0003820 | Pa×s | 446.83 | Calculated Property |
| η | 0.0002803 | Pa×s | 469.79 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-5-Hydroxy-2-methyl-1,3-dioxane.
Sources
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