- InChI
- InChI=1S/C10H20O2/c1-8(6-9(11)12-5)7-10(2,3)4/h8H,6-7H2,1-5H3
- InChI Key
- DCPCIGBOUDWJEZ-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- COC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 172.26
- 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).
- 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 | 0.4655 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | 1082.00 | NIST | |
| Tboil | 435.27 | K | Relay (1.0) Calculated Property |
| Tc | 633.06 | K | Relay (1.0) Calculated Property |
| Tfus | 222.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.55; 449.29] | J/mol×K | [482.95; 666.14] | 
|
| Cp,gas | 364.55 | J/mol×K | 482.95 | Joback Calculated Property |
| Cp,gas | 380.52 | J/mol×K | 513.48 | Joback Calculated Property |
| Cp,gas | 395.73 | J/mol×K | 544.01 | Joback Calculated Property |
| Cp,gas | 410.19 | J/mol×K | 574.55 | Joback Calculated Property |
| Cp,gas | 423.92 | J/mol×K | 605.08 | Joback Calculated Property |
| Cp,gas | 436.95 | J/mol×K | 635.61 | Joback Calculated Property |
| Cp,gas | 449.29 | J/mol×K | 666.14 | Joback Calculated Property |
| η | [0.0001951; 0.0142777] | Pa×s | [232.21; 482.95] |
|
| η | 0.0142777 | Pa×s | 232.21 | Joback Calculated Property |
| η | 0.0040453 | Pa×s | 274.00 | Joback Calculated Property |
| η | 0.0016003 | Pa×s | 315.79 | Joback Calculated Property |
| η | 0.0007863 | Pa×s | 357.58 | Joback Calculated Property |
| η | 0.0004483 | Pa×s | 399.37 | Joback Calculated Property |
| η | 0.0002843 | Pa×s | 441.16 | Joback Calculated Property |
| η | 0.0001951 | Pa×s | 482.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, methyl ester.
Sources
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