- InChI
- InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3
- InChI Key
- CPIVYSAVIPTCCX-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(=O)OC(C)CC(C)C
- Molecular Weight1
- 144.21
- CAS
- 108-84-9
- Other Names
-
- 1,3-Dimethylbutyl acetate
- 1,3-Dimethylbutyl ethanoate
- 1,3-Dimethylbutylester kyseliny octove
- 2-Pentanol, 4-methyl-, 2-acetate
- 2-Pentanol, 4-methyl-, acetate
- 4-Methyl-2-amyl acetate
- 4-Methyl-2-pentanol acetate
- 4-Methylpent-2-yl acetate
- Acetic acid, 1,3-dimethylbutyl ester
- Acetic acid, 4-methylpent-2-yl ester
- MAAc
- Methylisoamyl acetate
- Methylisobutylcarbinol acetate
- Methylisobutylcarbinyl acetate
- NSC 567
- UN 1233
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -222.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.78 | kJ/mol | Joback Calculated Property |
| log10WS | -1.90 | Crippen Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [842.00; 910.00] |
|
|
| Inp | 885.10 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 885.00 | NIST | |
| I | [1109.00; 1110.00] |
|
|
| I | 1110.00 | NIST | |
| I | 1109.00 | NIST | |
| I | 1110.00 | NIST | |
| Tboil | 420.70 | K | NIST |
| Tc | 640.65 | K | Joback Calculated Property |
| Tfus | 222.08 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.95; 350.42] | J/mol×K | [457.85; 640.65] |
|
| Cp,gas | 279.95 | J/mol×K | 457.85 | Joback Calculated Property |
| Cp,gas | 292.89 | J/mol×K | 488.32 | Joback Calculated Property |
| Cp,gas | 305.35 | J/mol×K | 518.78 | Joback Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 549.25 | Joback Calculated Property |
| Cp,gas | 328.83 | J/mol×K | 579.72 | Joback Calculated Property |
| Cp,gas | 339.86 | J/mol×K | 610.19 | Joback Calculated Property |
| Cp,gas | 350.42 | J/mol×K | 640.65 | Joback Calculated Property |
| η | [0.0002306; 0.0076048] | Pa×s | [222.08; 457.85] |
|
| η | 0.0076048 | Pa×s | 222.08 | Joback Calculated Property |
| η | 0.0027406 | Pa×s | 261.38 | Joback Calculated Property |
| η | 0.0012896 | Pa×s | 300.67 | Joback Calculated Property |
| η | 0.0007223 | Pa×s | 339.97 | Joback Calculated Property |
| η | 0.0004562 | Pa×s | 379.26 | Joback Calculated Property |
| η | 0.0003141 | Pa×s | 418.56 | Joback Calculated Property |
| η | 0.0002306 | Pa×s | 457.85 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [315.41; 446.11] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52054e+01 | |||
| Coefficient B | -3.83974e+03 | |||
| Coefficient C | -5.80180e+01 | |||
| Temperature range, min. | 315.41 | |||
| Temperature range, max. | 446.11 | |||
| Pvap | 1.33 | kPa | 315.41 | Calculated Property |
| Pvap | 2.96 | kPa | 329.93 | Calculated Property |
| Pvap | 6.05 | kPa | 344.45 | Calculated Property |
| Pvap | 11.55 | kPa | 358.98 | Calculated Property |
| Pvap | 20.79 | kPa | 373.50 | Calculated Property |
| Pvap | 35.51 | kPa | 388.02 | Calculated Property |
| Pvap | 58.00 | kPa | 402.54 | Calculated Property |
| Pvap | 91.03 | kPa | 417.07 | Calculated Property |
| Pvap | 137.95 | kPa | 431.59 | Calculated Property |
| Pvap | 202.66 | kPa | 446.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-2-pentyl acetate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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