- InChI
- InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
- InChI Key
- CTKINSOISVBQLD-UHFFFAOYSA-N
- Formula
- C3H6O2
- SMILES
- OCC1CO1
- Molecular Weight1
- 74.08
- CAS
- 556-52-5
- Other Names
-
- 1,2-epoxy-3-hydroxypropane
- 1-hydroxy-2,3-epoxypropane
- 1-propanol, 2,3-epoxy-
- 2,3-Epoxypropanol
- 2,3-Epoxypropanol-1
- 2,3-epoxy-1-propanol
- 2,3-epoxypropan-1-ol
- 2-(Hydroxymethyl)oxirane
- 2-Oxiranemethanol
- 3-hydroxy-1,2-epoxypropane
- 3-hydroxypropylene oxide
- Allyl alcohol oxide
- Epoxypropyl alcohol
- Glycide
- Glycidyl alcohol
- Hydroxymethyl ethylene oxide
- Hydroxymethyloxirane
- Methanol, oxiranyl-
- Monoepoxide glycidol
- NCI-C55549
- NSC 46096
- Oxiranylmethanol
- epihydrin alcohol
- glycerolglycide
- oxiranemethanol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 | 0.4269 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔcH°liquid | -1740.00 ± 0.80 | kJ/mol | NIST |
| ΔfH°gas | -255.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -298.00 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 13.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.43 | eV | NIST |
| logPoct/wat | -0.623 | Crippen Calculated Property | |
| McVol | 54.010 | ml/mol | McGowan Calculated Property |
| Pc | 5978.55 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [755.00; 755.00] |
|
|
| Inp | 755.00 | NIST | |
| Inp | 755.00 | NIST | |
| Tboil | 433.70 | K | NIST |
| Tc | 660.24 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | 284.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.212 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
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.
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; 0.0002549] | Pa×s | [228.90; 462.17] |
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. | 462.17 | |||
| η | 0.0220909 | Pa×s | 228.90 | Calculated Property |
| η | 0.0089889 | Pa×s | 254.82 | Calculated Property |
| η | 0.0043182 | Pa×s | 280.74 | Calculated Property |
| η | 0.0023481 | Pa×s | 306.66 | Calculated Property |
| η | 0.0014040 | Pa×s | 332.57 | Calculated Property |
| η | 0.0009043 | Pa×s | 358.49 | Calculated Property |
| η | 0.0006181 | Pa×s | 384.41 | Calculated Property |
| η | 0.0004432 | Pa×s | 410.33 | Calculated Property |
| η | 0.0003307 | Pa×s | 436.25 | Calculated Property |
| η | 0.0002549 | Pa×s | 462.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Glycidol.
Mixtures
Sources
- 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.
- Cheméo Relay (1.0)
- 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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