- InChI
- InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3
- InChI Key
- VGWUJHSTGYCXQQ-UHFFFAOYSA-N
- Formula
- C10H20O3
- SMILES
- CCCCCC(O)CC(=O)OCC
- Molecular Weight1
- 188.26
- CAS
- 7367-90-0
- 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 | 0.7503 | Relay (1.0) Calculated Property | |
| ΔfG° | -416.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.881 | Crippen Calculated Property | |
| McVol | 165.070 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| I | [1874.00; 1892.00] |
|
|
| I | 1880.00 | NIST | |
| I | 1892.00 | NIST | |
| I | 1886.00 | NIST | |
| I | 1884.00 | NIST | |
| I | 1875.00 | NIST | |
| I | 1886.00 | NIST | |
| I | 1874.00 | NIST | |
| I | 1880.00 | NIST | |
| I | 1880.00 | NIST | |
| I | 1886.00 | NIST | |
| I | 1875.00 | NIST | |
| Tboil | 496.24 | K | Relay (1.0) Calculated Property |
| Tc | 690.77 | K | Relay (1.0) Calculated Property |
| Tfus | 265.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.14; 562.56] | 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 | 2.28160e+01 | |||
| Coefficient B | 9.38940e-01 | |||
| Coefficient C | -4.59200e-04 | |||
| Coefficient D | 6.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 246.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 349.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 432.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 466.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 496.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 522.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 544.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 562.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0238620; 0.0001340] | Pa×s | [290.61; 521.80] |
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 | -1.54321e+01 | |||
| Coefficient B | 3.39917e+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. | 290.61 | |||
| Temperature range, max. | 521.80 | |||
| η | 0.0238620 | Pa×s | 290.61 | Calculated Property |
| η | 0.0092292 | Pa×s | 316.30 | Calculated Property |
| η | 0.0041171 | Pa×s | 341.98 | Calculated Property |
| η | 0.0020559 | Pa×s | 367.67 | Calculated Property |
| η | 0.0011241 | Pa×s | 393.36 | Calculated Property |
| η | 0.0006619 | Pa×s | 419.05 | Calculated Property |
| η | 0.0004143 | Pa×s | 444.73 | Calculated Property |
| η | 0.0002729 | Pa×s | 470.42 | Calculated Property |
| η | 0.0001877 | Pa×s | 496.11 | Calculated Property |
| η | 0.0001340 | Pa×s | 521.80 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl 3-hydroxyoctanoate.
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