- InChI
- InChI=1S/C6H10O3/c1-4-5(7)2-3-6(8)9-4/h4-5,7H,2-3H2,1H3
- InChI Key
- SRADPKRSAISFSJ-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CC1OC(=O)CCC1O
- Molecular Weight1
- 130.14
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -591.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.84 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.073 | Crippen Calculated Property | |
| McVol | 97.850 | ml/mol | McGowan Calculated Property |
| Inp | [1377.00; 1389.00] |
|
|
| Inp | 1377.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Inp | 1389.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Tboil | 553.47 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.53; 343.83] | 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 | -2.12900e+01 | |||
| Coefficient B | 6.67820e-01 | |||
| Coefficient C | -3.56800e-04 | |||
| Coefficient D | 5.41000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 172.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 235.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 284.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 303.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 319.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 333.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0153573; 0.0003172] | Pa×s | [270.71; 476.12] |
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 | -1.31694e+01 | |||
| Coefficient B | 2.43455e+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. | 270.71 | |||
| Temperature range, max. | 476.12 | |||
| η | 0.0153573 | Pa×s | 270.71 | Calculated Property |
| η | 0.0076318 | Pa×s | 293.53 | Calculated Property |
| η | 0.0041953 | Pa×s | 316.36 | Calculated Property |
| η | 0.0024996 | Pa×s | 339.18 | Calculated Property |
| η | 0.0015897 | Pa×s | 362.01 | Calculated Property |
| η | 0.0010668 | Pa×s | 384.83 | Calculated Property |
| η | 0.0007486 | Pa×s | 407.65 | Calculated Property |
| η | 0.0005455 | Pa×s | 430.48 | Calculated Property |
| η | 0.0004103 | Pa×s | 453.30 | Calculated Property |
| η | 0.0003172 | Pa×s | 476.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-dihydroxy-hexanoic acid lactone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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