- 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).
- Ip : 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 |
| Ip | [1932.00; 1940.00] |
|
|
| Ip | 1932.00 | NIST | |
| Ip | 1932.00 | NIST | |
| Ip | 1940.00 | NIST | |
| Ip | 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [143.14; 336.71] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.53000e+00 | |||
| Coefficient B | 6.73640e-01 | |||
| Coefficient C | -4.53600e-04 | |||
| Coefficient D | 1.26200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 143.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 234.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 257.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 277.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 295.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 310.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 324.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 336.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.8111502; 0.0001090] | Pa×s | [243.94; 485.96] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.81090e+01 | |||
| Coefficient B | 4.36646e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 243.94 | |||
| Temperature range, max. | 485.96 | |||
| η | 0.8111502 | Pa×s | 243.94 | Calculated Property |
| η | 0.1371667 | Pa×s | 270.83 | Calculated Property |
| η | 0.0319761 | Pa×s | 297.72 | Calculated Property |
| η | 0.0094882 | Pa×s | 324.61 | Calculated Property |
| η | 0.0033905 | Pa×s | 351.50 | Calculated Property |
| η | 0.0014024 | Pa×s | 378.39 | Calculated Property |
| η | 0.0006522 | Pa×s | 405.28 | Calculated Property |
| η | 0.0003336 | Pa×s | 432.17 | Calculated Property |
| η | 0.0001846 | Pa×s | 459.07 | Calculated Property |
| η | 0.0001090 | Pa×s | 485.96 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene-2,5-diol.
Sources
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