- InChI
- InChI=1S/C7H16O2/c1-5(2)6(8)7(3,4)9/h5-6,8-9H,1-4H3
- InChI Key
- GCQIRPJZONARRR-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CC(C)C(O)C(C)(C)O
- Molecular Weight1
- 132.20
- 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 | 0.6710 | Relay (1.0) Calculated Property | |
| ΔfG° | -267.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.774 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 462.76 | K | Relay (1.0) Calculated Property |
| Tc | 645.13 | K | Relay (1.0) Calculated Property |
| Tfus | 311.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.89; 420.35] | 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 | -2.07300e+01 | |||
| Coefficient B | 8.74480e-01 | |||
| Coefficient C | -5.96000e-04 | |||
| Coefficient D | 1.62600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 293.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 323.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 348.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 370.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 389.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 405.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 420.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.5265787; 0.0001087] | Pa×s | [262.71; 497.40] |
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 | -1.86267e+01 | |||
| Coefficient B | 4.72492e+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. | 262.71 | |||
| Temperature range, max. | 497.40 | |||
| η | 0.5265787 | Pa×s | 262.71 | Calculated Property |
| η | 0.1037931 | Pa×s | 288.79 | Calculated Property |
| η | 0.0267729 | Pa×s | 314.86 | Calculated Property |
| η | 0.0084965 | Pa×s | 340.94 | Calculated Property |
| η | 0.0031741 | Pa×s | 367.01 | Calculated Property |
| η | 0.0013512 | Pa×s | 393.09 | Calculated Property |
| η | 0.0006397 | Pa×s | 419.17 | Calculated Property |
| η | 0.0003306 | Pa×s | 445.24 | Calculated Property |
| η | 0.0001838 | Pa×s | 471.32 | Calculated Property |
| η | 0.0001087 | Pa×s | 497.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Pentanediol, 2,4-dimethyl-.
Sources
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