- InChI
- InChI=1S/C7H16O/c1-6(2)5-7(3)8-4/h6-7H,5H2,1-4H3
- InChI Key
- XOOBTEUBXZXNKK-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- COC(C)CC(C)C
- Molecular Weight1
- 116.20
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3486 | Relay (1.0) Calculated Property | |
| ΔfG° | -101.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.067 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 2796.51 | kPa | Joback Calculated Property |
| Inp | 734.60 | NIST | |
| Tboil | 375.75 | K | Relay (1.0) Calculated Property |
| Tc | 539.22 | K | Relay (1.0) Calculated Property |
| Tfus | 172.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.23; 285.76] | J/mol×K | [381.10; 553.18] | 
|
| Cp,gas | 218.23 | J/mol×K | 381.10 | Joback Calculated Property |
| Cp,gas | 230.43 | J/mol×K | 409.78 | Joback Calculated Property |
| Cp,gas | 242.25 | J/mol×K | 438.46 | Joback Calculated Property |
| Cp,gas | 253.69 | J/mol×K | 467.14 | Joback Calculated Property |
| Cp,gas | 264.76 | J/mol×K | 495.82 | Joback Calculated Property |
| Cp,gas | 275.45 | J/mol×K | 524.50 | Joback Calculated Property |
| Cp,gas | 285.76 | J/mol×K | 553.18 | Joback Calculated Property |
| η | [0.0002095; 0.0138704] | Pa×s | [160.88; 381.10] |
|
| η | 0.0138704 | Pa×s | 160.88 | Joback Calculated Property |
| η | 0.0036036 | Pa×s | 197.58 | Joback Calculated Property |
| η | 0.0014282 | Pa×s | 234.29 | Joback Calculated Property |
| η | 0.0007273 | Pa×s | 270.99 | Joback Calculated Property |
| η | 0.0004351 | Pa×s | 307.69 | Joback Calculated Property |
| η | 0.0002904 | Pa×s | 344.40 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 381.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-2-pentanol, methyl ether.
Sources
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