- InChI
- InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3
- InChI Key
- NZPGYIBESMMUFU-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCC(C)C(O)CC
- Molecular Weight1
- 116.20
- CAS
- 615-29-2
- Other Names
-
- 2-Ethyl-3-pentanol
- 3-Methyl-4-hexanol
- 3-Pentanol, 2-ethyl-
- 4-Methyl-3-hexanol
- 4-Methylhexan-3-ol
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5566 | Relay (... Calculated Property | |
| ΔfG° | -133.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.26 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.59 | eV | Relay (... Calculated Property |
| log10WS | -1.23 | Relay (... Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [721.00; 721.00] |
|
|
| Inp | 721.00 | NIST | |
| Inp | 721.00 | NIST | |
| I | 1583.00 | NIST | |
| Tboil | 422.65 ± 3.00 | K | NIST |
| Tc | 602.82 | K | Relay (... Calculated Property |
| Tfus | 220.63 | K | Relay (... Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.03; 308.82] | J/mol×K | [450.86; 618.05] |
|
| Cp,gas | 248.03 | J/mol×K | 450.86 | Joback Calculated Property |
| Cp,gas | 259.20 | J/mol×K | 478.73 | Joback Calculated Property |
| Cp,gas | 269.95 | J/mol×K | 506.59 | Joback Calculated Property |
| Cp,gas | 280.27 | J/mol×K | 534.46 | Joback Calculated Property |
| Cp,gas | 290.18 | J/mol×K | 562.32 | Joback Calculated Property |
| Cp,gas | 299.70 | J/mol×K | 590.19 | Joback Calculated Property |
| Cp,gas | 308.82 | J/mol×K | 618.05 | Joback Calculated Property |
| η | [0.0001931; 0.4386858] | Pa×s | [199.47; 450.86] |
|
| η | 0.4386858 | Pa×s | 199.47 | Joback Calculated Property |
| η | 0.0395574 | Pa×s | 241.37 | Joback Calculated Property |
| η | 0.0072680 | Pa×s | 283.27 | Joback Calculated Property |
| η | 0.0020664 | Pa×s | 325.16 | Joback Calculated Property |
| η | 0.0007829 | Pa×s | 367.06 | Joback Calculated Property |
| η | 0.0003619 | Pa×s | 408.96 | Joback Calculated Property |
| η | 0.0001931 | Pa×s | 450.86 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [314.84; 447.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.72599e+01 | |||
| Coefficient B | -5.34105e+03 | |||
| Coefficient C | -1.50000e-01 | |||
| Temperature range, min. | 314.84 | |||
| Temperature range, max. | 447.16 | |||
| Pvap | 1.33 | kPa | 314.84 | Calculated Property |
| Pvap | 2.84 | kPa | 329.54 | Calculated Property |
| Pvap | 5.68 | kPa | 344.24 | Calculated Property |
| Pvap | 10.74 | kPa | 358.95 | Calculated Property |
| Pvap | 19.29 | kPa | 373.65 | Calculated Property |
| Pvap | 33.16 | kPa | 388.35 | Calculated Property |
| Pvap | 54.79 | kPa | 403.05 | Calculated Property |
| Pvap | 87.37 | kPa | 417.76 | Calculated Property |
| Pvap | 134.98 | kPa | 432.46 | Calculated Property |
| Pvap | 202.65 | kPa | 447.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanol, 4-methyl-.
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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