- InChI
- InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h6H,2-4H2,1H3
- InChI Key
- WOVLKKLXYZJMSN-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CCCC(=O)CO
- Molecular Weight1
- 102.13
- CAS
- 64502-89-2
- Other Names
-
- 2-Pentanone, 1-hydroxy-
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6199 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.348 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | [695.00; 695.00] |
|
|
| Inp | 695.00 | NIST | |
| Inp | 695.00 | NIST | |
| Ip | [1439.00; 1469.00] |
|
|
| Ip | 1445.00 | NIST | |
| Ip | 1439.00 | NIST | |
| Ip | 1469.00 | NIST | |
| Ip | 1469.00 | NIST | |
| Tboil | 432.96 | K | Relay (1.0) Calculated Property |
| Tc | 655.26 | K | Relay (1.0) Calculated Property |
| Tfus | 285.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.320 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.98; 284.97] | 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 | 1.09930e+01 | |||
| Coefficient B | 4.84820e-01 | |||
| Coefficient C | -2.59900e-04 | |||
| Coefficient D | 4.90600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 176.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 198.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 218.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 235.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 250.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 263.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 275.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 284.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0272118; 0.0003045] | Pa×s | [256.86; 442.94] |
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 | -1.42987e+01 | |||
| Coefficient B | 2.74702e+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. | 256.86 | |||
| Temperature range, max. | 442.94 | |||
| η | 0.0272118 | Pa×s | 256.86 | Calculated Property |
| η | 0.0122674 | Pa×s | 277.54 | Calculated Property |
| η | 0.0061763 | Pa×s | 298.21 | Calculated Property |
| η | 0.0033990 | Pa×s | 318.89 | Calculated Property |
| η | 0.0020117 | Pa×s | 339.56 | Calculated Property |
| η | 0.0012645 | Pa×s | 360.24 | Calculated Property |
| η | 0.0008359 | Pa×s | 380.91 | Calculated Property |
| η | 0.0005766 | Pa×s | 401.59 | Calculated Property |
| η | 0.0004125 | Pa×s | 422.26 | Calculated Property |
| η | 0.0003045 | Pa×s | 442.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hydroxy-2-pentanone.
Sources
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