- InChI
- InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3
- InChI Key
- AYPJVXQBVHCUCJ-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CCOC(=O)CCCO
- Molecular Weight1
- 132.16
- Other Names
-
- ethyl 4-hydroxybutyrate
- 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.
- 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 | 0.6936 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.322 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Inp | [1022.00; 1039.00] |
|
|
| Inp | 1022.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| I | [1790.00; 1822.00] |
|
|
| I | 1819.00 | NIST | |
| I | 1819.00 | NIST | |
| I | 1819.00 | NIST | |
| I | 1822.00 | NIST | |
| I | 1794.00 | NIST | |
| I | 1796.00 | NIST | |
| I | 1795.00 | NIST | |
| I | 1790.00 | NIST | |
| I | 1819.00 | NIST | |
| I | 1794.00 | NIST | |
| I | 1819.00 | NIST | |
| I | 1790.00 | NIST | |
| Tboil | 475.08 | K | Relay (1.0) Calculated Property |
| Tc | 674.04 | K | Relay (1.0) Calculated Property |
| Tfus | 245.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.60; 355.65] | 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 | 2.81340e+01 | |||
| Coefficient B | 5.53020e-01 | |||
| Coefficient C | -2.38400e-04 | |||
| Coefficient D | 1.29000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 251.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 275.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 297.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 315.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 331.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 345.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 355.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0333835; 0.0002365] | Pa×s | [260.53; 458.72] |
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 | -1.48560e+01 | |||
| Coefficient B | 2.98471e+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. | 260.53 | |||
| Temperature range, max. | 458.72 | |||
| η | 0.0333835 | Pa×s | 260.53 | Calculated Property |
| η | 0.0136699 | Pa×s | 282.55 | Calculated Property |
| η | 0.0063690 | Pa×s | 304.57 | Calculated Property |
| η | 0.0032893 | Pa×s | 326.59 | Calculated Property |
| η | 0.0018467 | Pa×s | 348.61 | Calculated Property |
| η | 0.0011104 | Pa×s | 370.64 | Calculated Property |
| η | 0.0007069 | Pa×s | 392.66 | Calculated Property |
| η | 0.0004721 | Pa×s | 414.68 | Calculated Property |
| η | 0.0003284 | Pa×s | 436.70 | Calculated Property |
| η | 0.0002365 | Pa×s | 458.72 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl 4-hydroxybutanoate.
Sources
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