- InChI
- InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3
- InChI Key
- XLMFDCKSFJWJTP-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CCC(O)C(C)O
- Molecular Weight1
- 104.15
- CAS
- 42027-23-6
- Other Names
-
- pentane-2,3-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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.6414 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.138 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Inp | [810.00; 810.00] |
|
|
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| I | [1553.00; 1553.00] |
|
|
| I | 1553.00 | NIST | |
| I | 1553.00 | NIST | |
| Tboil | 459.46 | K | Relay (1.0) Calculated Property |
| Tc | 622.59 | K | Relay (1.0) Calculated Property |
| Tfus | 281.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.92; 315.70] | 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 | 5.56100e+00 | |||
| Coefficient B | 5.58640e-01 | |||
| Coefficient C | -3.15400e-04 | |||
| Coefficient D | 6.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 240.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 259.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 276.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 304.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 315.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [1.1462269; 0.0001743] | Pa×s | [237.75; 463.03] |
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 | -1.79332e+01 | |||
| Coefficient B | 4.29606e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 237.75 | |||
| Temperature range, max. | 463.03 | |||
| η | 1.1462269 | Pa×s | 237.75 | Calculated Property |
| η | 0.2050059 | Pa×s | 262.78 | Calculated Property |
| η | 0.0494631 | Pa×s | 287.81 | Calculated Property |
| η | 0.0149833 | Pa×s | 312.84 | Calculated Property |
| η | 0.0054173 | Pa×s | 337.87 | Calculated Property |
| η | 0.0022538 | Pa×s | 362.90 | Calculated Property |
| η | 0.0010500 | Pa×s | 387.93 | Calculated Property |
| η | 0.0005366 | Pa×s | 412.96 | Calculated Property |
| η | 0.0002961 | Pa×s | 438.00 | Calculated Property |
| η | 0.0001743 | Pa×s | 463.03 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.23; 202.67] | kPa | [324.01; 513.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43913e+01 | |||
| Coefficient B | -4.03801e+03 | |||
| Coefficient C | -6.92110e+01 | |||
| Temperature range, min. | 324.01 | |||
| Temperature range, max. | 513.94 | |||
| Pvap | 0.23 | kPa | 324.01 | Calculated Property |
| Pvap | 0.78 | kPa | 345.11 | Calculated Property |
| Pvap | 2.22 | kPa | 366.22 | Calculated Property |
| Pvap | 5.46 | kPa | 387.32 | Calculated Property |
| Pvap | 12.03 | kPa | 408.42 | Calculated Property |
| Pvap | 24.15 | kPa | 429.53 | Calculated Property |
| Pvap | 44.90 | kPa | 450.63 | Calculated Property |
| Pvap | 78.22 | kPa | 471.73 | Calculated Property |
| Pvap | 128.93 | kPa | 492.84 | Calculated Property |
| Pvap | 202.67 | kPa | 513.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Pentanediol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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