- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 | 0.5329 | Relay (1.0) Calculated Property | |
| ΔfG° | -329.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.40 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.073 | Crippen Calculated Property | |
| McVol | 97.850 | ml/mol | McGowan Calculated Property |
| Pc | 4420.84 | kPa | Joback 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 |
| Tc | 730.23 | K | Relay (1.0) Calculated Property |
| Tfus | 309.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.18; 309.15] | J/mol×K | [538.51; 748.29] |
|
| Cp,gas | 243.18 | J/mol×K | 538.51 | Joback Calculated Property |
| Cp,gas | 255.59 | J/mol×K | 573.47 | Joback Calculated Property |
| Cp,gas | 267.46 | J/mol×K | 608.44 | Joback Calculated Property |
| Cp,gas | 278.77 | J/mol×K | 643.40 | Joback Calculated Property |
| Cp,gas | 289.50 | J/mol×K | 678.37 | Joback Calculated Property |
| Cp,gas | 299.63 | J/mol×K | 713.33 | Joback Calculated Property |
| Cp,gas | 309.15 | J/mol×K | 748.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-dihydroxy-hexanoic acid lactone.
Sources
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