- InChI
- InChI=1S/C7H16O/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3
- InChI Key
- OIBKGNPMOMMSSI-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CC(O)CC(C)(C)C
- Molecular Weight1
- 116.20
- CAS
- 6144-93-0
- Other Names
-
- 4,4-dimethylpentan-2-ol
- Methylneopentylcarbinol
- 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).
- Pvap : Vapor pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5330 | Relay (1.0) Calculated Property | |
| ΔfG° | -128.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| I | 1219.90 | NIST | |
| Tboil | [410.65; 411.15] | K |
|
| Tboil | 410.65 ± 3.00 | K | NIST |
| Tboil | 411.15 ± 2.00 | K | NIST |
| Tc | 575.96 | K | Relay (1.0) Calculated Property |
| Tfus | 244.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 410.50 | K | 98.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [316.19; 433.49] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51507e+01 | |||
| Coefficient B | -3.41435e+03 | |||
| Coefficient C | -8.64730e+01 | |||
| Temperature range, min. | 316.19 | |||
| Temperature range, max. | 433.49 | |||
| Pvap | 1.33 | kPa | 316.19 | Calculated Property |
| Pvap | 2.96 | kPa | 329.22 | Calculated Property |
| Pvap | 6.06 | kPa | 342.26 | Calculated Property |
| Pvap | 11.58 | kPa | 355.29 | Calculated Property |
| Pvap | 20.84 | kPa | 368.32 | Calculated Property |
| Pvap | 35.59 | kPa | 381.36 | Calculated Property |
| Pvap | 58.10 | kPa | 394.39 | Calculated Property |
| Pvap | 91.15 | kPa | 407.42 | Calculated Property |
| Pvap | 138.05 | kPa | 420.46 | Calculated Property |
| Pvap | 202.67 | kPa | 433.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-DIMETHYL-2-PENTANOL.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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