- InChI
- InChI=1S/C12H24O2/c1-6-10(4)7-8-12(9(2)3)14-11(5)13/h9-10,12H,6-8H2,1-5H3
- InChI Key
- JEBRLPRSVRFFNS-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCC(C)CCC(OC(C)=O)C(C)C
- Molecular Weight1
- 200.32
- CAS
- 123232-57-5
- Other Names
-
- 2,6-Dimethyl-3-octylacetate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -191.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1890.36 | kPa | Joback Calculated Property |
| Inp | 1372.00 | NIST | |
| Tboil | 548.93 | K | Joback Calculated Property |
| Tc | 728.36 | K | Joback Calculated Property |
| Tfus | 252.16 | K | Joback Calculated Property |
| Vc | 0.714 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.98; 555.06] | J/mol×K | [548.93; 728.36] | 
|
| Cp,gas | 464.98 | J/mol×K | 548.93 | Joback Calculated Property |
| Cp,gas | 481.72 | J/mol×K | 578.83 | Joback Calculated Property |
| Cp,gas | 497.75 | J/mol×K | 608.74 | Joback Calculated Property |
| Cp,gas | 513.09 | J/mol×K | 638.64 | Joback Calculated Property |
| Cp,gas | 527.75 | J/mol×K | 668.55 | Joback Calculated Property |
| Cp,gas | 541.73 | J/mol×K | 698.45 | Joback Calculated Property |
| Cp,gas | 555.06 | J/mol×K | 728.36 | Joback Calculated Property |
| η | [0.0001557; 0.0095948] | Pa×s | [252.16; 548.93] |
|
| η | 0.0095948 | Pa×s | 252.16 | Joback Calculated Property |
| η | 0.0027490 | Pa×s | 301.62 | Joback Calculated Property |
| η | 0.0011201 | Pa×s | 351.08 | Joback Calculated Property |
| η | 0.0005697 | Pa×s | 400.54 | Joback Calculated Property |
| η | 0.0003362 | Pa×s | 450.01 | Joback Calculated Property |
| η | 0.0002202 | Pa×s | 499.47 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 548.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octanol, 2,6-dimethyl-, acetate.
Sources
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