- InChI
- InChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3
- InChI Key
- HMSVXZJWPVIVIV-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCC(O)C(C)(C)C
- Molecular Weight1
- 116.20
- CAS
- 3970-62-5
- Other Names
-
- 2,2-Dimethyl-3-pentanol
- 2,2-dimethylpentan-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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -128.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.17 | kJ/mol | Joback Calculated Property |
| log10WS | -1.15 | Aq. Sol... | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| Inp | [806.00; 817.00] |
|
|
| Inp | 814.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | Outlier 806.00 | NIST | |
| Inp | 814.00 | NIST | |
| Tboil | 448.07 | K | Joback Calculated Property |
| Tc | 621.71 | K | Joback Calculated Property |
| Tfus | [271.48; 282.45] | K |
|
| Tfus | 271.48 | K | Aq. Sol... |
| Tfus | 280.50 | K | Calorim... |
| Tfus | 282.45 ± 0.50 | K | NIST |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.49; 313.99] | J/mol×K | [448.07; 621.71] |
|
| Cp,gas | 250.49 | J/mol×K | 448.07 | Joback Calculated Property |
| Cp,gas | 262.44 | J/mol×K | 477.01 | Joback Calculated Property |
| Cp,gas | 273.81 | J/mol×K | 505.95 | Joback Calculated Property |
| Cp,gas | 284.62 | J/mol×K | 534.89 | Joback Calculated Property |
| Cp,gas | 294.91 | J/mol×K | 563.83 | Joback Calculated Property |
| Cp,gas | 304.69 | J/mol×K | 592.77 | Joback Calculated Property |
| Cp,gas | 313.99 | J/mol×K | 621.71 | Joback Calculated Property |
| η | [0.0002114; 0.2459675] | Pa×s | [216.89; 448.07] |
|
| η | 0.2459675 | Pa×s | 216.89 | Joback Calculated Property |
| η | 0.0312263 | Pa×s | 255.42 | Joback Calculated Property |
| η | 0.0068100 | Pa×s | 293.95 | Joback Calculated Property |
| η | 0.0021138 | Pa×s | 332.48 | Joback Calculated Property |
| η | 0.0008366 | Pa×s | 371.01 | Joback Calculated Property |
| η | 0.0003942 | Pa×s | 409.54 | Joback Calculated Property |
| η | 0.0002114 | Pa×s | 448.07 | Joback Calculated Property |
| ΔvapH | 51.40 | kJ/mol | 364.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [316.18; 431.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49725e+01 | |||
| Coefficient B | -3.25877e+03 | |||
| Coefficient C | -9.42700e+01 | |||
| Temperature range, min. | 316.18 | |||
| Temperature range, max. | 431.58 | |||
| Pvap | 1.33 | kPa | 316.18 | Calculated Property |
| Pvap | 2.97 | kPa | 329.00 | Calculated Property |
| Pvap | 6.10 | kPa | 341.82 | Calculated Property |
| Pvap | 11.67 | kPa | 354.65 | Calculated Property |
| Pvap | 21.00 | kPa | 367.47 | Calculated Property |
| Pvap | 35.84 | kPa | 380.29 | Calculated Property |
| Pvap | 58.43 | kPa | 393.11 | Calculated Property |
| Pvap | 91.52 | kPa | 405.94 | Calculated Property |
| Pvap | 138.34 | kPa | 418.76 | Calculated Property |
| Pvap | 202.64 | kPa | 431.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanol, 2,2-dimethyl-.
Sources
- Crippen Method
- Calorimetric and FTIR study of selected aliphatic heptanols
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.