- InChI
- InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1
- InChI Key
- CTKINSOISVBQLD-VKHMYHEASA-N
- Formula
- C3H6O2
- SMILES
- OC[C@@H]1CO1
- Molecular Weight1
- 74.08
- Other Names
-
- (-)-2,3-epoxy-1-propanol
- (-)-glycidol
- (S)-(-)-Glycidol
- (S)-glycidol
- (S)-oxiran-2-ylmethanol
- 2-Oxiranemethanol, (2S)-
- S-(-)-glycidol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -287.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.623 | Crippen Calculated Property | |
| McVol | 54.010 | ml/mol | McGowan Calculated Property |
| Tboil | 438.61 | K | Relay (1.0) Calculated Property |
| Tfus | 306.07 | K | Relay (1.0) Calculated Property |
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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 339.70 | K | 2.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [75.54; 192.03] | 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 | -2.74690e+01 | |||
| Coefficient B | 4.70700e-01 | |||
| Coefficient C | -3.76100e-04 | |||
| Coefficient D | 1.24900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 75.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 97.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 116.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 132.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 145.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 157.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 167.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 176.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 184.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 192.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0220909; 0.0005009] | Pa×s | [228.90; 400.40] |
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 | -1.26529e+01 | |||
| Coefficient B | 2.02354e+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. | 228.90 | |||
| Temperature range, max. | 400.40 | |||
| η | 0.0220909 | Pa×s | 228.90 | Calculated Property |
| η | 0.0111985 | Pa×s | 247.96 | Calculated Property |
| η | 0.0062549 | Pa×s | 267.01 | Calculated Property |
| η | 0.0037755 | Pa×s | 286.07 | Calculated Property |
| η | 0.0024273 | Pa×s | 305.12 | Calculated Property |
| η | 0.0016437 | Pa×s | 324.18 | Calculated Property |
| η | 0.0011623 | Pa×s | 343.23 | Calculated Property |
| η | 0.0008524 | Pa×s | 362.29 | Calculated Property |
| η | 0.0006448 | Pa×s | 381.35 | Calculated Property |
| η | 0.0005009 | Pa×s | 400.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxiranemethanol, (S)-.
Mixtures
Sources
- 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
- Energetics of pairwise interaction between glycidol enantiomers in (dimethylformamide + water) mixtures rich in water at T = 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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