- InChI
- InChI=1S/C8H16O3/c1-3-7(9)5-6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
- InChI Key
- WSZGBHSBZUYPBO-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCOC(=O)CCC(O)CC
- 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).
- 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 | 0.6864 | Relay (1.0) Calculated Property | |
| ΔfG° | -433.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.101 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Ip | [1826.00; 1826.00] |
|
|
| Ip | 1826.00 | NIST | |
| Ip | 1826.00 | NIST | |
| Tboil | 483.33 | K | Relay (1.0) Calculated Property |
| Tc | 665.52 | K | Relay (1.0) Calculated Property |
| Tfus | 248.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.72; 459.37] | 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 | 2.46340e+01 | |||
| Coefficient B | 7.48940e-01 | |||
| Coefficient C | -3.50400e-04 | |||
| Coefficient D | 3.62000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 322.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 354.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 382.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 406.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 427.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 445.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0400414; 0.0001738] | Pa×s | [268.07; 491.10] |
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 | -1.51955e+01 | |||
| Coefficient B | 3.21085e+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. | 268.07 | |||
| Temperature range, max. | 491.10 | |||
| η | 0.0400414 | Pa×s | 268.07 | Calculated Property |
| η | 0.0145324 | Pa×s | 292.85 | Calculated Property |
| η | 0.0061780 | Pa×s | 317.63 | Calculated Property |
| η | 0.0029725 | Pa×s | 342.41 | Calculated Property |
| η | 0.0015787 | Pa×s | 367.19 | Calculated Property |
| η | 0.0009082 | Pa×s | 391.97 | Calculated Property |
| η | 0.0005580 | Pa×s | 416.75 | Calculated Property |
| η | 0.0003621 | Pa×s | 441.54 | Calculated Property |
| η | 0.0002461 | Pa×s | 466.32 | Calculated Property |
| η | 0.0001738 | Pa×s | 491.10 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl 4-hydroxyhexanoate.
Sources
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