- InChI
- InChI=1S/C6H14O2/c1-3-6(2)8-5-4-7/h6-7H,3-5H2,1-2H3
- InChI Key
- HUWFDQSAXOIUNP-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CCC(C)OCCO
- Molecular Weight1
- 118.17
- CAS
- 7795-91-7
- 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).
- 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 | 0.6279 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -472.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.794 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3415.86 | kPa | Joback Calculated Property |
| Tboil | 439.01 | K | Relay (1.0) Calculated Property |
| Tc | 614.46 | K | Relay (1.0) Calculated Property |
| Tfus | 200.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.383 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.36; 366.58] | 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 | 2.65430e+01 | |||
| Coefficient B | 5.50540e-01 | |||
| Coefficient C | -2.25200e-04 | |||
| Coefficient D | 1.47000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 277.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 300.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 320.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 353.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 366.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0820702; 0.0002414] | Pa×s | [225.43; 431.01] |
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 | -1.47208e+01 | |||
| Coefficient B | 2.75490e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 225.43 | |||
| Temperature range, max. | 431.01 | |||
| η | 0.0820702 | Pa×s | 225.43 | Calculated Property |
| η | 0.0266616 | Pa×s | 248.27 | Calculated Property |
| η | 0.0104681 | Pa×s | 271.11 | Calculated Property |
| η | 0.0047528 | Pa×s | 293.96 | Calculated Property |
| η | 0.0024181 | Pa×s | 316.80 | Calculated Property |
| η | 0.0013474 | Pa×s | 339.64 | Calculated Property |
| η | 0.0008082 | Pa×s | 362.48 | Calculated Property |
| η | 0.0005150 | Pa×s | 385.32 | Calculated Property |
| η | 0.0003452 | Pa×s | 408.17 | Calculated Property |
| η | 0.0002414 | Pa×s | 431.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(1-methylpropoxy)ethanol.
Sources
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