- InChI
- InChI=1S/C5H12O3/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
- InChI Key
- ZESKRVSPQJVIMH-UHFFFAOYSA-N
- Formula
- C5H12O3
- SMILES
- COCC(O)COC
- Molecular Weight1
- 120.15
- Other Names
-
- 1,3-Dimethoxy-2-propanol
- Glycerol 1,3-dimethyl ether
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6105 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -564.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.949 | NCMS SOLV-DB | |
| McVol | 98.920 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Tboil | 442.20 | K | NIST |
| Tc | 614.14 | K | Relay (1.0) Calculated Property |
| Tfus | 238.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.20 | K | 5.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.55; 333.49] | 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 | 5.29520e+01 | |||
| Coefficient B | 3.92340e-01 | |||
| Coefficient C | -5.98000e-05 | |||
| Coefficient D | -5.20000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 232.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 275.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 293.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 309.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 322.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 333.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0441979; 0.0002163] | Pa×s | [236.39; 431.29] |
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 | -1.48913e+01 | |||
| Coefficient B | 2.78283e+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. | 236.39 | |||
| Temperature range, max. | 431.29 | |||
| η | 0.0441979 | Pa×s | 236.39 | Calculated Property |
| η | 0.0164568 | Pa×s | 258.05 | Calculated Property |
| η | 0.0071405 | Pa×s | 279.70 | Calculated Property |
| η | 0.0034932 | Pa×s | 301.36 | Calculated Property |
| η | 0.0018809 | Pa×s | 323.01 | Calculated Property |
| η | 0.0010946 | Pa×s | 344.67 | Calculated Property |
| η | 0.0006792 | Pa×s | 366.32 | Calculated Property |
| η | 0.0004445 | Pa×s | 387.98 | Calculated Property |
| η | 0.0003042 | Pa×s | 409.63 | Calculated Property |
| η | 0.0002163 | Pa×s | 431.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanol, 1,3-dimethoxy-.
Sources
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