- InChI
- InChI=1S/C12H24O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h5-10H2,1-4H3
- InChI Key
- BRHAUGJKIFZHDU-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCCCCCCC(=O)OC(C)(C)C
- Molecular Weight1
- 200.32
- CAS
- 5457-66-9
- Other Names
-
- Octanoic acid, 1,1-dimethylethyl ester
- Octanoic acid, t-butyl ester
- tert-butyl octanoate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -7453.00 ± 13.00 | kJ/mol | NIST |
| ΔfG° | -180.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 3.689 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1882.17 | kPa | Joback Calculated Property |
| Tboil | 547.02 | K | Joback Calculated Property |
| Tc | 725.77 | K | Joback Calculated Property |
| Tfus | 299.58 | K | Joback Calculated Property |
| Vc | 0.721 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.06; 555.57] | J/mol×K | [547.02; 725.77] | 
|
| Cp,gas | 467.06 | J/mol×K | 547.02 | Joback Calculated Property |
| Cp,gas | 483.65 | J/mol×K | 576.81 | Joback Calculated Property |
| Cp,gas | 499.47 | J/mol×K | 606.60 | Joback Calculated Property |
| Cp,gas | 514.55 | J/mol×K | 636.40 | Joback Calculated Property |
| Cp,gas | 528.91 | J/mol×K | 666.19 | Joback Calculated Property |
| Cp,gas | 542.58 | J/mol×K | 695.98 | Joback Calculated Property |
| Cp,gas | 555.57 | J/mol×K | 725.77 | Joback Calculated Property |
| η | [0.0001743; 0.0038453] | Pa×s | [299.58; 547.02] |
|
| η | 0.0038453 | Pa×s | 299.58 | Joback Calculated Property |
| η | 0.0016806 | Pa×s | 340.82 | Joback Calculated Property |
| η | 0.0008783 | Pa×s | 382.06 | Joback Calculated Property |
| η | 0.0005208 | Pa×s | 423.30 | Joback Calculated Property |
| η | 0.0003389 | Pa×s | 464.54 | Joback Calculated Property |
| η | 0.0002365 | Pa×s | 505.78 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 547.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid-tert butyl ester.
Sources
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