![(S)-5-Hydroxymethyl-2[5H]-furanone](/cid/58-796-5/S-5-Hydroxymethyl-2-5H-furanone.png "(S)-5-Hydroxymethyl-2[5H]-furanone")
- InChI
- InChI=1S/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m1/s1
- InChI Key
- AWNLUIGMHSSXHB-SCSAIBSYSA-N
- Formula
- C5H6O3
- SMILES
- O=C1C=CC(CO)O1
- Molecular Weight1
- 114.10
- CAS
- 78508-96-0
- 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).
- 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 | 0.5614 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.540 | Crippen Calculated Property | |
| McVol | 79.460 | ml/mol | McGowan Calculated Property |
| Pc | 5374.91 | kPa | Joback Calculated Property |
| Tboil | 516.33 | K | Relay (1.0) Calculated Property |
| Tc | 717.75 | K | Relay (1.0) Calculated Property |
| Tfus | 301.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.289 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.96; 228.01] | J/mol×K | [515.19; 722.90] | 
|
| Cp,gas | 180.96 | J/mol×K | 515.19 | Joback Calculated Property |
| Cp,gas | 189.83 | J/mol×K | 549.81 | Joback Calculated Property |
| Cp,gas | 198.29 | J/mol×K | 584.43 | Joback Calculated Property |
| Cp,gas | 206.35 | J/mol×K | 619.05 | Joback Calculated Property |
| Cp,gas | 213.99 | J/mol×K | 653.66 | Joback Calculated Property |
| Cp,gas | 221.21 | J/mol×K | 688.28 | Joback Calculated Property |
| Cp,gas | 228.01 | J/mol×K | 722.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-5-Hydroxymethyl-2[5H]-furanone.
Sources
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