- InChI
- InChI=1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3
- InChI Key
- HJJZIMFAIMUSBW-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CC(C)C(O)CO
- Molecular Weight1
- 104.15
- CAS
- 50468-22-9
- ω : Acentric Factor.
- 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).
- 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 | 0.6708 | Relay (... Calculated Property | |
| ΔfG° | -287.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.55 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.62 | kJ/mol | Relay (... Calculated Property |
| IE | 10.17 | eV | Relay (... Calculated Property |
| log10WS | 0.17 | Relay (... Calculated Property | |
| logPoct/wat | -0.004 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Tboil | [461.15; 473.02] | K |
|
| Tboil | 461.15 ± 2.00 | K | NIST |
| Tboil | 473.02 ± 3.00 | K | NIST |
| Tc | 653.69 | K | Relay (... Calculated Property |
| Tfus | 286.38 | K | Relay (... Calculated Property |
| Vc | 0.337 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.59; 256.38] | J/mol×K | [497.28; 661.20] |
|
| Cp,gas | 213.59 | J/mol×K | 497.28 | Joback Calculated Property |
| Cp,gas | 221.48 | J/mol×K | 524.60 | Joback Calculated Property |
| Cp,gas | 229.06 | J/mol×K | 551.92 | Joback Calculated Property |
| Cp,gas | 236.33 | J/mol×K | 579.24 | Joback Calculated Property |
| Cp,gas | 243.30 | J/mol×K | 606.56 | Joback Calculated Property |
| Cp,gas | 249.98 | J/mol×K | 633.88 | Joback Calculated Property |
| Cp,gas | 256.38 | J/mol×K | 661.20 | Joback Calculated Property |
| η | [0.0000920; 1.1462269] | Pa×s | [237.75; 497.28] |
|
| η | 1.1462269 | Pa×s | 237.75 | Joback Calculated Property |
| η | 0.0710068 | Pa×s | 281.00 | Joback Calculated Property |
| η | 0.0092386 | Pa×s | 324.26 | Joback Calculated Property |
| η | 0.0019427 | Pa×s | 367.51 | Joback Calculated Property |
| η | 0.0005673 | Pa×s | 410.77 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 454.02 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 497.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methylbutane-1,2-diol.
Sources
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