- InChI
- InChI=1S/C8H16O3/c1-5-11-7(10)6(9)8(2,3)4/h6,9H,5H2,1-4H3
- InChI Key
- LNSCMKSSQGPHCU-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCOC(=O)C(O)C(C)(C)C
- Molecular Weight1
- 160.21
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.6150 | Relay (1.0) Calculated Property | |
| ΔfG° | -430.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.956 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Inp | [1050.00; 1050.00] |
|
|
| Inp | 1050.00 | NIST | |
| Inp | 1050.00 | NIST | |
| I | [1469.00; 1469.00] |
|
|
| I | 1469.00 | NIST | |
| I | 1469.00 | NIST | |
| Tboil | 440.87 | K | Relay (1.0) Calculated Property |
| Tc | 660.23 | K | Relay (1.0) Calculated Property |
| Tfus | 310.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.499 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.26; 460.84] | 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 | 1.61000e-01 | |||
| Coefficient B | 8.74780e-01 | |||
| Coefficient C | -5.22200e-04 | |||
| Coefficient D | 1.08100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 202.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 249.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 290.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 327.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 358.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 410.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 430.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 460.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0513173; 0.0001568] | Pa×s | [270.49; 495.26] |
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 | -1.57295e+01 | |||
| Coefficient B | 3.45139e+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. | 270.49 | |||
| Temperature range, max. | 495.26 | |||
| η | 0.0513173 | Pa×s | 270.49 | Calculated Property |
| η | 0.0174529 | Pa×s | 295.46 | Calculated Property |
| η | 0.0070224 | Pa×s | 320.44 | Calculated Property |
| η | 0.0032231 | Pa×s | 345.41 | Calculated Property |
| η | 0.0016431 | Pa×s | 370.39 | Calculated Property |
| η | 0.0009121 | Pa×s | 395.36 | Calculated Property |
| η | 0.0005430 | Pa×s | 420.34 | Calculated Property |
| η | 0.0003426 | Pa×s | 445.31 | Calculated Property |
| η | 0.0002270 | Pa×s | 470.28 | Calculated Property |
| η | 0.0001568 | Pa×s | 495.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-hydroxy-3,3-dimethylbutyrate.
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