- InChI
- InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h3-8H,1-2H3/b4-3-
- InChI Key
- AQSWYJHDAKIVIM-ONEGZZNKSA-N
- Formula
- C6H12O2
- SMILES
- CC(O)/C=C/C(C)O
- Molecular Weight1
- 116.16
- Other Names
-
- Hex-3-ene-2,5-diol
- 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).
- I : 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 | 0.6200 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.304 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| I | [1932.00; 1940.00] |
|
|
| I | 1932.00 | NIST | |
| I | 1932.00 | NIST | |
| I | 1940.00 | NIST | |
| I | 1932.00 | NIST | |
| Tboil | 469.37 | K | Relay (1.0) Calculated Property |
| Tc | 610.75 | K | Relay (1.0) Calculated Property |
| Tfus | 332.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.386 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.16; 281.68] | J/mol×K | [524.32; 693.96] |
|
| Cp,gas | 237.16 | J/mol×K | 524.32 | Joback Calculated Property |
| Cp,gas | 245.50 | J/mol×K | 552.59 | Joback Calculated Property |
| Cp,gas | 253.45 | J/mol×K | 580.87 | Joback Calculated Property |
| Cp,gas | 261.03 | J/mol×K | 609.14 | Joback Calculated Property |
| Cp,gas | 268.24 | J/mol×K | 637.41 | Joback Calculated Property |
| Cp,gas | 275.12 | J/mol×K | 665.69 | Joback Calculated Property |
| Cp,gas | 281.68 | J/mol×K | 693.96 | Joback Calculated Property |
| η | [0.0000565; 0.8111502] | Pa×s | [243.94; 524.32] |
|
| η | 0.8111502 | Pa×s | 243.94 | Joback Calculated Property |
| η | 0.0456396 | Pa×s | 290.67 | Joback Calculated Property |
| η | 0.0056986 | Pa×s | 337.40 | Joback Calculated Property |
| η | 0.0011804 | Pa×s | 384.13 | Joback Calculated Property |
| η | 0.0003440 | Pa×s | 430.86 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 477.59 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 524.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene-2,5-diol.
Sources
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