- 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).
- 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 |
|---|---|---|---|
| ω | 0.4655 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | 1082.00 | NIST | |
| Tboil | 435.27 | K | Relay (1.0) Calculated Property |
| Tc | 627.35 | K | Relay (1.0) Calculated Property |
| Tfus | 229.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.17; 454.15] | J/mol×K | [500.82; 686.98] | 
|
| Cp,gas | 371.17 | J/mol×K | 500.82 | Joback Calculated Property |
| Cp,gas | 386.77 | J/mol×K | 531.85 | Joback Calculated Property |
| Cp,gas | 401.63 | J/mol×K | 562.87 | Joback Calculated Property |
| Cp,gas | 415.78 | J/mol×K | 593.90 | Joback Calculated Property |
| Cp,gas | 429.24 | J/mol×K | 624.93 | Joback Calculated Property |
| Cp,gas | 442.02 | J/mol×K | 655.96 | Joback Calculated Property |
| Cp,gas | 454.15 | J/mol×K | 686.98 | Joback Calculated Property |
| η | [0.0002041; 0.0064596] | Pa×s | [262.04; 500.82] |
|
| η | 0.0064596 | Pa×s | 262.04 | Joback Calculated Property |
| η | 0.0024849 | Pa×s | 301.84 | Joback Calculated Property |
| η | 0.0011942 | Pa×s | 341.63 | Joback Calculated Property |
| η | 0.0006687 | Pa×s | 381.43 | Joback Calculated Property |
| η | 0.0004178 | Pa×s | 421.23 | Joback Calculated Property |
| η | 0.0002831 | Pa×s | 461.02 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 500.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, methyl ester.
Sources
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