- InChI
- InChI=1S/C13H24O2/c1-6-7-8-9-10-11(2)15-12(14)13(3,4)5/h9-11H,6-8H2,1-5H3/b10-9+
- InChI Key
- CIYFYDOFPMJDQX-MDZDMXLPSA-N
- Formula
- C13H24O2
- SMILES
- CCCCC=CC(C)OC(=O)C(C)(C)C
- Molecular Weight1
- 212.33
- 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° | -94.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 197.170 | ml/mol | McGowan Calculated Property |
| Pc | 1824.72 | kPa | Joback Calculated Property |
| Inp | 1268.00 | NIST | |
| Tboil | 573.62 | K | Joback Calculated Property |
| Tc | 761.27 | K | Joback Calculated Property |
| Tfus | 290.77 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.07; 589.47] | J/mol×K | [573.62; 761.27] | 
|
| Cp,gas | 499.07 | J/mol×K | 573.62 | Joback Calculated Property |
| Cp,gas | 516.23 | J/mol×K | 604.90 | Joback Calculated Property |
| Cp,gas | 532.50 | J/mol×K | 636.17 | Joback Calculated Property |
| Cp,gas | 547.93 | J/mol×K | 667.45 | Joback Calculated Property |
| Cp,gas | 562.54 | J/mol×K | 698.72 | Joback Calculated Property |
| Cp,gas | 576.38 | J/mol×K | 730.00 | Joback Calculated Property |
| Cp,gas | 589.47 | J/mol×K | 761.27 | Joback Calculated Property |
| η | [0.0001233; 0.0047852] | Pa×s | [290.77; 573.62] |
|
| η | 0.0047852 | Pa×s | 290.77 | Joback Calculated Property |
| η | 0.0016996 | Pa×s | 337.91 | Joback Calculated Property |
| η | 0.0007778 | Pa×s | 385.05 | Joback Calculated Property |
| η | 0.0004222 | Pa×s | 432.19 | Joback Calculated Property |
| η | 0.0002584 | Pa×s | 479.34 | Joback Calculated Property |
| η | 0.0001727 | Pa×s | 526.48 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 573.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, oct-3-en-2-yl ester.
Sources
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