- InChI
- InChI=1S/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3
- InChI Key
- RBKRCARRXLFUGJ-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCC(C)(CCCC(C)C)OC(C)=O
- Molecular Weight1
- 200.32
- CAS
- 20780-48-7
- Other Names
-
- Tetrahydrolinalyl acetate
- 3,7-dimethyloctan-3-yl acetate
- 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.
- 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° | -183.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 3.545 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1895.30 | kPa | Joback Calculated Property |
| Inp | [1221.10; 1234.00] |
|
|
| Inp | 1221.10 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1234.00 | NIST | |
| I | [1422.00; 1438.00] |
|
|
| I | 1438.00 | NIST | |
| I | 1422.00 | NIST | |
| Tboil | 546.58 | K | Joback Calculated Property |
| Tc | 728.79 | K | Joback Calculated Property |
| Tfus | 284.58 | K | Joback Calculated Property |
| Vc | 0.715 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.33; 557.59] | J/mol×K | [546.58; 728.79] |
|
| Cp,gas | 467.33 | J/mol×K | 546.58 | Joback Calculated Property |
| Cp,gas | 484.29 | J/mol×K | 576.95 | Joback Calculated Property |
| Cp,gas | 500.46 | J/mol×K | 607.32 | Joback Calculated Property |
| Cp,gas | 515.84 | J/mol×K | 637.68 | Joback Calculated Property |
| Cp,gas | 530.48 | J/mol×K | 668.05 | Joback Calculated Property |
| Cp,gas | 544.39 | J/mol×K | 698.42 | Joback Calculated Property |
| Cp,gas | 557.59 | J/mol×K | 728.79 | Joback Calculated Property |
| η | [0.0001638; 0.0055085] | Pa×s | [284.58; 546.58] |
|
| η | 0.0055085 | Pa×s | 284.58 | Joback Calculated Property |
| η | 0.0020765 | Pa×s | 328.25 | Joback Calculated Property |
| η | 0.0009843 | Pa×s | 371.91 | Joback Calculated Property |
| η | 0.0005458 | Pa×s | 415.58 | Joback Calculated Property |
| η | 0.0003386 | Pa×s | 459.25 | Joback Calculated Property |
| η | 0.0002282 | Pa×s | 502.91 | Joback Calculated Property |
| η | 0.0001638 | Pa×s | 546.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octanol, 3,7-dimethyl-, acetate.
Sources
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