- InChI
- InChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3
- InChI Key
- GSSDZVRLQDXOPL-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCCC(C)(C)CO
- Molecular Weight1
- 130.23
- CAS
- 2370-13-0
- Other Names
-
- 2,2-Dimethyl-1-hexanol
- 2,2-Dimethylhexanol
- Neooctanol
- tert-Octanol
- tert-Octyl alcohol
- 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).
- 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 | 0.6209 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Tboil | [440.65; 445.65] | K |
|
| Tboil | 445.65 ± 5.00 | K | NIST |
| Tboil | 440.65 ± 5.00 | K | NIST |
| Tc | 632.02 | K | Relay (1.0) Calculated Property |
| Tfus | 253.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.463 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.85; 359.77] | J/mol×K | [471.39; 640.25] |
|
| Cp,gas | 292.85 | J/mol×K | 471.39 | Joback Calculated Property |
| Cp,gas | 305.37 | J/mol×K | 499.53 | Joback Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 527.68 | Joback Calculated Property |
| Cp,gas | 328.71 | J/mol×K | 555.82 | Joback Calculated Property |
| Cp,gas | 339.57 | J/mol×K | 583.96 | Joback Calculated Property |
| Cp,gas | 349.91 | J/mol×K | 612.10 | Joback Calculated Property |
| Cp,gas | 359.77 | J/mol×K | 640.25 | Joback Calculated Property |
| η | [0.0001803; 0.0742698] | Pa×s | [243.16; 471.39] |
|
| η | 0.0742698 | Pa×s | 243.16 | Joback Calculated Property |
| η | 0.0138116 | Pa×s | 281.20 | Joback Calculated Property |
| η | 0.0038351 | Pa×s | 319.24 | Joback Calculated Property |
| η | 0.0013989 | Pa×s | 357.27 | Joback Calculated Property |
| η | 0.0006196 | Pa×s | 395.31 | Joback Calculated Property |
| η | 0.0003166 | Pa×s | 433.35 | Joback Calculated Property |
| η | 0.0001803 | Pa×s | 471.39 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.20 | K | 3.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [348.46; 469.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47185e+01 | |||
| Coefficient B | -3.27106e+03 | |||
| Coefficient C | -1.21790e+02 | |||
| Temperature range, min. | 348.46 | |||
| Temperature range, max. | 469.51 | |||
| Pvap | 1.33 | kPa | 348.46 | Calculated Property |
| Pvap | 2.99 | kPa | 361.91 | Calculated Property |
| Pvap | 6.16 | kPa | 375.36 | Calculated Property |
| Pvap | 11.80 | kPa | 388.81 | Calculated Property |
| Pvap | 21.24 | kPa | 402.26 | Calculated Property |
| Pvap | 36.21 | kPa | 415.71 | Calculated Property |
| Pvap | 58.94 | kPa | 429.16 | Calculated Property |
| Pvap | 92.08 | kPa | 442.61 | Calculated Property |
| Pvap | 138.78 | kPa | 456.06 | Calculated Property |
| Pvap | 202.63 | kPa | 469.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanol, 2,2-dimethyl-.
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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