- InChI
- InChI=1S/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2/t4-/m1/s1
- InChI Key
- NSISJFFVIMQBRN-SCSAIBSYSA-N
- Formula
- C5H8O3
- SMILES
- O=C1CCC(CO)O1
- Molecular Weight1
- 116.12
- CAS
- 32780-06-6
- 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 | 0.6014 | Relay (1.0) Calculated Property | |
| ΔfG° | -317.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.316 | Crippen Calculated Property | |
| McVol | 83.760 | ml/mol | McGowan Calculated Property |
| Pc | 5102.04 | kPa | Joback Calculated Property |
| Tboil | 552.51 | K | Relay (1.0) Calculated Property |
| Tc | 769.45 | K | Relay (1.0) Calculated Property |
| Tfus | 320.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.305 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.34; 252.22] | J/mol×K | [516.03; 721.74] | 
|
| Cp,gas | 198.34 | J/mol×K | 516.03 | Joback Calculated Property |
| Cp,gas | 208.44 | J/mol×K | 550.31 | Joback Calculated Property |
| Cp,gas | 218.10 | J/mol×K | 584.60 | Joback Calculated Property |
| Cp,gas | 227.32 | J/mol×K | 618.88 | Joback Calculated Property |
| Cp,gas | 236.08 | J/mol×K | 653.17 | Joback Calculated Property |
| Cp,gas | 244.38 | J/mol×K | 687.45 | Joback Calculated Property |
| Cp,gas | 252.22 | J/mol×K | 721.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(+)-2',3'-Dideoxyribonolactone.
Sources
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