- InChI
- InChI=1S/C7H16O2/c1-3-7(9)5-4-6(2)8/h6-9H,3-5H2,1-2H3
- InChI Key
- XTVHTJKQKUOEQA-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CCC(O)CCC(C)O
- Molecular Weight1
- 132.20
- CAS
- 70444-25-6
- 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 | 0.6968 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.918 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Tboil | 483.86 | K | Relay (1.0) Calculated Property |
| Tc | 648.31 | K | Relay (1.0) Calculated Property |
| Tfus | 276.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.35; 418.88] | 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 | 3.74300e+00 | |||
| Coefficient B | 7.48640e-01 | |||
| Coefficient C | -4.24200e-04 | |||
| Coefficient D | 9.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 178.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 219.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 289.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 344.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 386.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 403.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 418.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.4213623; 0.0001217] | Pa×s | [260.29; 493.92] |
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 | -1.80927e+01 | |||
| Coefficient B | 4.48438e+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. | 260.29 | |||
| Temperature range, max. | 493.92 | |||
| η | 0.4213623 | Pa×s | 260.29 | Calculated Property |
| η | 0.0883303 | Pa×s | 286.25 | Calculated Property |
| η | 0.0240106 | Pa×s | 312.21 | Calculated Property |
| η | 0.0079716 | Pa×s | 338.17 | Calculated Property |
| η | 0.0030972 | Pa×s | 364.13 | Calculated Property |
| η | 0.0013647 | Pa×s | 390.09 | Calculated Property |
| η | 0.0006661 | Pa×s | 416.05 | Calculated Property |
| η | 0.0003537 | Pa×s | 442.01 | Calculated Property |
| η | 0.0002015 | Pa×s | 467.97 | Calculated Property |
| η | 0.0001217 | Pa×s | 493.92 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dihydroxyheptane.
Sources
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