- InChI
- InChI=1S/C9H16O4/c1-5-12-9(11)6(2)7(3)13-8(4)10/h6-7H,5H2,1-4H3
- InChI Key
- KYWLAHNPWLJLDJ-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- CCOC(=O)C(C)C(C)OC(C)=O
- Molecular Weight1
- 188.22
- 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).
- 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 | 0.5331 | Relay (1.0) Calculated Property | |
| ΔfG° | -600.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.137 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| I | [1563.00; 1588.00] |
|
|
| I | 1569.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1569.00 | NIST | |
| Tboil | 464.33 | K | Relay (1.0) Calculated Property |
| Tc | 646.22 | K | Relay (1.0) Calculated Property |
| Tfus | 246.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.567 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.45; 500.94] | 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 | 4.21610e+01 | |||
| Coefficient B | 7.61080e-01 | |||
| Coefficient C | -2.83000e-04 | |||
| Coefficient D | -1.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 228.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 275.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 356.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 391.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 421.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 447.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 469.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 487.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 500.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0121598; 0.0002001] | Pa×s | [245.85; 493.31] |
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 | -1.25974e+01 | |||
| Coefficient B | 2.01296e+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. | 245.85 | |||
| Temperature range, max. | 493.31 | |||
| η | 0.0121598 | Pa×s | 245.85 | Calculated Property |
| η | 0.0053364 | Pa×s | 273.35 | Calculated Property |
| η | 0.0027224 | Pa×s | 300.84 | Calculated Property |
| η | 0.0015546 | Pa×s | 328.34 | Calculated Property |
| η | 0.0009680 | Pa×s | 355.83 | Calculated Property |
| η | 0.0006451 | Pa×s | 383.33 | Calculated Property |
| η | 0.0004540 | Pa×s | 410.82 | Calculated Property |
| η | 0.0003338 | Pa×s | 438.32 | Calculated Property |
| η | 0.0002546 | Pa×s | 465.81 | Calculated Property |
| η | 0.0002001 | Pa×s | 493.31 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl 3-acetoxy-2-methylbutanoate.
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