- InChI
- InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
- InChI Key
- BODRLKRKPXBDBN-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CC(CCO)CC(C)(C)C
- Molecular Weight1
- 144.25
- CAS
- 3452-97-9
- Other Names
-
- 3,5,5-Trimethyl n-hexanol
- 3,5,5-Trimethyl-1-hexanol
- 3,5,5-Trimethylhexan-1-ol
- 3,5,5-Trimethylhexanol
- 3,5,5-Trimethylhexyl alcohol
- NSC 83151
- NSC 97226
- Nonylol
- i-Nonyl alcohol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -5943.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | -111.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.35 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -456.90 | kJ/mol | NIST |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.90 ± 0.40 | kJ/mol | NIST |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | [1041.00; 1049.00] |
|
|
| Inp | 1041.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1041.00 | NIST | |
| I | 1480.00 | NIST | |
| Tboil | [463.15; 467.20] | K |
|
| Tboil | 467.20 | K | NIST |
| Tboil | 463.15 ± 4.00 | K | NIST |
| Tboil | 464.15 ± 4.00 | K | NIST |
| Tboil | 466.65 ± 4.00 | K | NIST |
| Tboil | 466.05 ± 3.00 | K | NIST |
| Tc | 664.90 | K | Joback Calculated Property |
| Tfus | 239.43 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.46; 410.41] | J/mol×K | [493.83; 664.90] |
|
| Cp,gas | 337.46 | J/mol×K | 493.83 | Joback Calculated Property |
| Cp,gas | 351.13 | J/mol×K | 522.34 | Joback Calculated Property |
| Cp,gas | 364.17 | J/mol×K | 550.85 | Joback Calculated Property |
| Cp,gas | 376.59 | J/mol×K | 579.36 | Joback Calculated Property |
| Cp,gas | 388.42 | J/mol×K | 607.88 | Joback Calculated Property |
| Cp,gas | 399.69 | J/mol×K | 636.39 | Joback Calculated Property |
| Cp,gas | 410.41 | J/mol×K | 664.90 | Joback Calculated Property |
| η | [0.0001397; 0.1242076] | Pa×s | [239.43; 493.83] |
|
| η | 0.1242076 | Pa×s | 239.43 | Joback Calculated Property |
| η | 0.0170986 | Pa×s | 281.83 | Joback Calculated Property |
| η | 0.0039538 | Pa×s | 324.23 | Joback Calculated Property |
| η | 0.0012828 | Pa×s | 366.63 | Joback Calculated Property |
| η | 0.0005256 | Pa×s | 409.03 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 451.43 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 493.83 | Joback Calculated Property |
| Pvap | [6.72e-03; 0.16] | kPa | [288.20; 324.40] |
|
| Pvap | 6.72e-03 | kPa | 288.20 | Measure... |
| Pvap | 9.15e-03 | kPa | 291.30 | Measure... |
| Pvap | 0.01 | kPa | 294.40 | Measure... |
| Pvap | 0.02 | kPa | 297.40 | Measure... |
| Pvap | 0.02 | kPa | 300.40 | Measure... |
| Pvap | 0.03 | kPa | 303.40 | Measure... |
| Pvap | 0.04 | kPa | 306.40 | Measure... |
| Pvap | 0.05 | kPa | 309.40 | Measure... |
| Pvap | 0.06 | kPa | 312.40 | Measure... |
| Pvap | 0.08 | kPa | 315.40 | Measure... |
| Pvap | 0.10 | kPa | 318.40 | Measure... |
| Pvap | 0.13 | kPa | 321.40 | Measure... |
| Pvap | 0.16 | kPa | 324.40 | Measure... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [359.92; 492.23] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.62921e+01 | |||
| Coefficient B | -4.62819e+03 | |||
| Coefficient C | -7.07400e+01 | |||
| Temperature range, min. | 359.92 | |||
| Temperature range, max. | 492.23 | |||
| Pvap | 1.33 | kPa | 359.92 | Calculated Property |
| Pvap | 2.89 | kPa | 374.62 | Calculated Property |
| Pvap | 5.84 | kPa | 389.32 | Calculated Property |
| Pvap | 11.08 | kPa | 404.02 | Calculated Property |
| Pvap | 19.93 | kPa | 418.72 | Calculated Property |
| Pvap | 34.17 | kPa | 433.43 | Calculated Property |
| Pvap | 56.17 | kPa | 448.13 | Calculated Property |
| Pvap | 88.96 | kPa | 462.83 | Calculated Property |
| Pvap | 136.28 | kPa | 477.53 | Calculated Property |
| Pvap | 202.67 | kPa | 492.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanol, 3,5,5-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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