- InChI
- InChI=1S/C4H7O2/c1-2-6-4-3-5-1/h1H,2-4H2
- InChI Key
- XTKIUJCPLLOSMW-UHFFFAOYSA-N
- Formula
- C4H7O2
- SMILES
- [CH]1COCCO1
- Molecular Weight1
- 87.10
- CAS
- 4598-47-4
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 803.20 | kJ/mol | NIST |
| BasG | 770.70 | kJ/mol | NIST |
| ΔfG° | -112.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.80 | kJ/mol | Joback Calculated Property |
| log10WS | 0.33 | Crippen Calculated Property | |
| logPoct/wat | 0.195 | Crippen Calculated Property | |
| McVol | 65.950 | ml/mol | McGowan Calculated Property |
| Pc | 5320.16 | kPa | Joback Calculated Property |
| Tboil | 363.67 | K | Joback Calculated Property |
| Tc | 568.40 | K | Joback Calculated Property |
| Tfus | 211.73 | K | Joback Calculated Property |
| Vc | 0.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [113.67; 169.01] | J/mol×K | [363.67; 568.40] | 
|
| Cp,gas | 113.67 | J/mol×K | 363.67 | Joback Calculated Property |
| Cp,gas | 124.48 | J/mol×K | 397.79 | Joback Calculated Property |
| Cp,gas | 134.61 | J/mol×K | 431.91 | Joback Calculated Property |
| Cp,gas | 144.10 | J/mol×K | 466.03 | Joback Calculated Property |
| Cp,gas | 152.97 | J/mol×K | 500.15 | Joback Calculated Property |
| Cp,gas | 161.26 | J/mol×K | 534.28 | Joback Calculated Property |
| Cp,gas | 169.01 | J/mol×K | 568.40 | Joback Calculated Property |
| η | [0.0005240; 0.0025959] | Pa×s | [211.73; 363.67] |
|
| η | 0.0025959 | Pa×s | 211.73 | Joback Calculated Property |
| η | 0.0017242 | Pa×s | 237.05 | Joback Calculated Property |
| η | 0.0012394 | Pa×s | 262.38 | Joback Calculated Property |
| η | 0.0009442 | Pa×s | 287.70 | Joback Calculated Property |
| η | 0.0007517 | Pa×s | 313.02 | Joback Calculated Property |
| η | 0.0006192 | Pa×s | 338.35 | Joback Calculated Property |
| η | 0.0005240 | Pa×s | 363.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dioxyl radical.
Sources
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