- InChI
- InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
- InChI Key
- LYRIITRHDCNUHV-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCCC(O)CC(=O)OCC
- Molecular Weight1
- 160.21
- CAS
- 2305-25-1
- Other Names
-
- Ethyl hydroxy-3-hexanoate
- ethyl 3-hydroxyhexanoate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -356.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.90 ± 0.60 | kJ/mol | NIST |
| log10WS | -1.41 | Crippen Calculated Property | |
| logPoct/wat | 1.101 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [1103.00; 1157.00] |
|
|
| Inp | 1103.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Inp | Outlier 1157.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1134.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1103.00 | NIST | |
| I | [1650.00; 1696.00] |
|
|
| I | 1664.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1664.00 | NIST | |
| I | Outlier 1690.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1663.00 | NIST | |
| I | Outlier 1650.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1675.00 | NIST | |
| I | Outlier 1696.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1664.00 | NIST | |
| Tboil | 550.47 | K | Joback Calculated Property |
| Tc | 722.09 | K | Joback Calculated Property |
| Tfus | 297.90 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.69; 393.29] | J/mol×K | [550.47; 722.09] |
|
| Cp,gas | 333.69 | J/mol×K | 550.47 | Joback Calculated Property |
| Cp,gas | 344.69 | J/mol×K | 579.07 | Joback Calculated Property |
| Cp,gas | 355.26 | J/mol×K | 607.68 | Joback Calculated Property |
| Cp,gas | 365.40 | J/mol×K | 636.28 | Joback Calculated Property |
| Cp,gas | 375.11 | J/mol×K | 664.88 | Joback Calculated Property |
| Cp,gas | 384.41 | J/mol×K | 693.49 | Joback Calculated Property |
| Cp,gas | 393.29 | J/mol×K | 722.09 | Joback Calculated Property |
| η | [0.0001040; 0.0141338] | Pa×s | [297.90; 550.47] |
|
| η | 0.0141338 | Pa×s | 297.90 | Joback Calculated Property |
| η | 0.0037547 | Pa×s | 340.00 | Joback Calculated Property |
| η | 0.0013358 | Pa×s | 382.09 | Joback Calculated Property |
| η | 0.0005834 | Pa×s | 424.19 | Joback Calculated Property |
| η | 0.0002959 | Pa×s | 466.28 | Joback Calculated Property |
| η | 0.0001680 | Pa×s | 508.38 | Joback Calculated Property |
| η | 0.0001040 | Pa×s | 550.47 | Joback Calculated Property |
| ΔvapH | 61.80 | kJ/mol | 298.15 | Applica... |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3-hydroxy-, ethyl ester.
Sources
- Crippen Method
- Crippen Method
- Application of correlation-gas chromatography to evaluate the vaporization enthalpy of a component in an equilibrium mixture
- Joback Method
- McGowan Method
- NIST Webbook
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that the value is more than 2 standard deviations away from the
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