- InChI
- InChI=1S/C9H18O2/c1-5-7(3)9(6-2)11-8(4)10/h7,9H,5-6H2,1-4H3
- InChI Key
- IAGFRJOWIZRHRV-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCC(C)C(CC)OC(C)=O
- Molecular Weight1
- 158.24
- CAS
- 84612-71-5
- 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).
- 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 | 0.4788 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Tboil | 438.21 | K | Relay (1.0) Calculated Property |
| Tc | 612.55 | K | Relay (1.0) Calculated Property |
| Tfus | 192.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.22; 399.06] | J/mol×K | [480.73; 661.81] | 
|
| Cp,gas | 323.22 | J/mol×K | 480.73 | Joback Calculated Property |
| Cp,gas | 337.19 | J/mol×K | 510.91 | Joback Calculated Property |
| Cp,gas | 350.61 | J/mol×K | 541.09 | Joback Calculated Property |
| Cp,gas | 363.51 | J/mol×K | 571.27 | Joback Calculated Property |
| Cp,gas | 375.88 | J/mol×K | 601.45 | Joback Calculated Property |
| Cp,gas | 387.73 | J/mol×K | 631.63 | Joback Calculated Property |
| Cp,gas | 399.06 | J/mol×K | 661.81 | Joback Calculated Property |
| η | [0.0002156; 0.0073761] | Pa×s | [233.35; 480.73] |
|
| η | 0.0073761 | Pa×s | 233.35 | Joback Calculated Property |
| η | 0.0026314 | Pa×s | 274.58 | Joback Calculated Property |
| η | 0.0012286 | Pa×s | 315.81 | Joback Calculated Property |
| η | 0.0006840 | Pa×s | 357.04 | Joback Calculated Property |
| η | 0.0004299 | Pa×s | 398.27 | Joback Calculated Property |
| η | 0.0002948 | Pa×s | 439.50 | Joback Calculated Property |
| η | 0.0002156 | Pa×s | 480.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-3-hexanol acetate.
Sources
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