- InChI
- InChI=1S/C9H20O/c1-8(2,3)7(10)9(4,5)6/h7,10H,1-6H3
- InChI Key
- WFJSIIHYYLHRHB-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CC(C)(C)C(O)C(C)(C)C
- Molecular Weight1
- 144.25
- CAS
- 14609-79-1
- Other Names
-
- 2,2,4,4-Tetramethylpentan-3-ol
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -108.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 4.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.70 ± 0.90 | kJ/mol | NIST |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.440 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Tboil | [437.15; 442.65] | K |
|
| Tboil | 439.00 ± 5.00 | K | NIST |
| Tboil | Outlier 442.65 ± 4.00 | K | NIST |
| Tboil | 439.15 ± 4.00 | K | NIST |
| Tboil | 437.65 ± 3.00 | K | NIST |
| Tboil | 438.65 ± 4.00 | K | NIST |
| Tboil | 437.15 ± 5.00 | K | NIST |
| Tboil | 438.65 ± 4.00 | K | NIST |
| Tc | 671.71 | K | Joback Calculated Property |
| Tfus | [320.15; 325.00] | K |
|
| Tfus | 325.00 ± 3.00 | K | NIST |
| Tfus | 325.00 ± 3.00 | K | NIST |
| Tfus | 320.15 ± 2.00 | K | NIST |
| Vc | 0.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.27; 417.23] | J/mol×K | [490.60; 671.71] |
|
| Cp,gas | 340.27 | J/mol×K | 490.60 | Joback Calculated Property |
| Cp,gas | 355.03 | J/mol×K | 520.79 | Joback Calculated Property |
| Cp,gas | 368.96 | J/mol×K | 550.97 | Joback Calculated Property |
| Cp,gas | 382.10 | J/mol×K | 581.16 | Joback Calculated Property |
| Cp,gas | 394.50 | J/mol×K | 611.34 | Joback Calculated Property |
| Cp,gas | 406.20 | J/mol×K | 641.53 | Joback Calculated Property |
| Cp,gas | 417.23 | J/mol×K | 671.71 | Joback Calculated Property |
| η | [0.0001395; 0.1725436] | Pa×s | [241.85; 490.60] |
|
| η | 0.1725436 | Pa×s | 241.85 | Joback Calculated Property |
| η | 0.0221006 | Pa×s | 283.31 | Joback Calculated Property |
| η | 0.0047838 | Pa×s | 324.77 | Joback Calculated Property |
| η | 0.0014643 | Pa×s | 366.23 | Joback Calculated Property |
| η | 0.0005702 | Pa×s | 407.68 | Joback Calculated Property |
| η | 0.0002643 | Pa×s | 449.14 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 490.60 | Joback Calculated Property |
| ΔfusH | 7.30 | kJ/mol | 322.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Pentanol, 2,2,4,4-tetramethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.