- InChI
- InChI=1S/C12H24O2/c1-5-11(4)7-6-8-14-12(13)9-10(2)3/h10-11H,5-9H2,1-4H3
- InChI Key
- KQLITBHOONUXEL-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCC(C)CCCOC(=O)CC(C)C
- Molecular Weight1
- 200.32
- CAS
- 1215127-80-2
- 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 | 0.6156 | Relay (1.0) Calculated Property | |
| ΔfG° | -188.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.402 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | 1311.60 | NIST | |
| Tboil | 464.59 | K | Relay (1.0) Calculated Property |
| Tc | 669.62 | K | Relay (1.0) Calculated Property |
| Tfus | 195.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.693 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.71; 553.06] | J/mol×K | [549.37; 725.46] | 
|
| Cp,gas | 464.71 | J/mol×K | 549.37 | Joback Calculated Property |
| Cp,gas | 481.08 | J/mol×K | 578.72 | Joback Calculated Property |
| Cp,gas | 496.78 | J/mol×K | 608.07 | Joback Calculated Property |
| Cp,gas | 511.82 | J/mol×K | 637.42 | Joback Calculated Property |
| Cp,gas | 526.20 | J/mol×K | 666.76 | Joback Calculated Property |
| Cp,gas | 539.94 | J/mol×K | 696.11 | Joback Calculated Property |
| Cp,gas | 553.06 | J/mol×K | 725.46 | Joback Calculated Property |
| η | [0.0001657; 0.0062070] | Pa×s | [267.16; 549.37] |
|
| η | 0.0062070 | Pa×s | 267.16 | Joback Calculated Property |
| η | 0.0021594 | Pa×s | 314.19 | Joback Calculated Property |
| η | 0.0009890 | Pa×s | 361.23 | Joback Calculated Property |
| η | 0.0005423 | Pa×s | 408.26 | Joback Calculated Property |
| η | 0.0003366 | Pa×s | 455.30 | Joback Calculated Property |
| η | 0.0002285 | Pa×s | 502.33 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 549.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylhexyl 3-methylbutanoate.
Sources
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