- InChI
- InChI=1S/C8H14O4/c1-4-11-8(10)5-6(2)12-7(3)9/h6H,4-5H2,1-3H3
- InChI Key
- JFWYJXYRFBRWSH-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CCOC(=O)CC(C)OC(C)=O
- Molecular Weight1
- 174.20
- Other Names
-
- Ethyl 3-(acetyloxy)butanoate
- Ethyl 3-acetoxybutanoate
- Butyric acid, 3-hydroxy-, ethyl ester, acetate
- 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.
- Ip : 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 | 0.5488 | Relay (1.0) Calculated Property | |
| ΔfG° | -606.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.891 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | [1109.20; 1109.20] |
|
|
| Inp | 1109.20 | NIST | |
| Inp | 1109.20 | NIST | |
| Ip | [1569.00; 1576.00] |
|
|
| Ip | 1576.00 | NIST | |
| Ip | 1570.00 | NIST | |
| Ip | 1569.00 | NIST | |
| Tboil | 446.97 | K | Relay (1.0) Calculated Property |
| Tc | 636.78 | K | Relay (1.0) Calculated Property |
| Tfus | 232.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.55; 448.81] | 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 | 4.47520e+01 | |||
| Coefficient B | 6.60160e-01 | |||
| Coefficient C | -2.25400e-04 | |||
| Coefficient D | -3.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 248.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 320.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 351.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 378.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 421.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 437.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 448.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0081868; 0.0002265] | Pa×s | [249.58; 476.31] |
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 | -1.23418e+01 | |||
| Coefficient B | 1.88098e+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. | 249.58 | |||
| Temperature range, max. | 476.31 | |||
| η | 0.0081868 | Pa×s | 249.58 | Calculated Property |
| η | 0.0041023 | Pa×s | 274.77 | Calculated Property |
| η | 0.0023086 | Pa×s | 299.96 | Calculated Property |
| η | 0.0014202 | Pa×s | 325.16 | Calculated Property |
| η | 0.0009369 | Pa×s | 350.35 | Calculated Property |
| η | 0.0006536 | Pa×s | 375.54 | Calculated Property |
| η | 0.0004770 | Pa×s | 400.73 | Calculated Property |
| η | 0.0003614 | Pa×s | 425.92 | Calculated Property |
| η | 0.0002824 | Pa×s | 451.11 | Calculated Property |
| η | 0.0002265 | Pa×s | 476.31 | Calculated Property |
Similar Compounds
Find more compounds similar to ETHYL (+-)-3-ACETOXYBUTYRATE.
Sources
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