- InChI
- InChI=1S/C10H22O/c1-9(2,3)7-8(11)10(4,5)6/h8,11H,7H2,1-6H3
- InChI Key
- CFEYPBVKHMZCFR-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CC(C)(C)CC(O)C(C)(C)C
- Molecular Weight1
- 158.29
- 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 | 0.5581 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.830 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Tboil | [443.15; 446.65] | K |
|
| Tboil | 443.15 ± 5.00 | K | NIST |
| Tboil | 446.65 ± 4.00 | K | NIST |
| Tc | 648.34 | K | Relay (1.0) Calculated Property |
| Tfus | 328.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.89; 557.38] | 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 | -5.15390e+01 | |||
| Coefficient B | 1.24542e+00 | |||
| Coefficient C | -8.97400e-04 | |||
| Coefficient D | 2.60900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 288.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 341.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 387.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 427.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 461.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 490.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 515.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 537.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 557.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1204426; 0.0001646] | Pa×s | [253.12; 485.18] |
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 | -1.59066e+01 | |||
| Coefficient B | 3.49053e+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. | 253.12 | |||
| Temperature range, max. | 485.18 | |||
| η | 0.1204426 | Pa×s | 253.12 | Calculated Property |
| η | 0.0336604 | Pa×s | 278.90 | Calculated Property |
| η | 0.0116725 | Pa×s | 304.69 | Calculated Property |
| η | 0.0047751 | Pa×s | 330.47 | Calculated Property |
| η | 0.0022233 | Pa×s | 356.26 | Calculated Property |
| η | 0.0011477 | Pa×s | 382.04 | Calculated Property |
| η | 0.0006441 | Pa×s | 407.82 | Calculated Property |
| η | 0.0003872 | Pa×s | 433.61 | Calculated Property |
| η | 0.0002464 | Pa×s | 459.39 | Calculated Property |
| η | 0.0001646 | Pa×s | 485.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,5,5-Tetramethylhexan-3-ol.
Sources
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