- InChI
- InChI=1S/C10H20O2/c1-5-6-7-8-10(2,3)9(11)12-4/h5-8H2,1-4H3
- InChI Key
- TWDSPUJFEJFHTH-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCCC(C)(C)C(=O)OC
- 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 | 0.5068 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.766 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Inp | 1030.00 | NIST | |
| Tboil | 443.60 | K | Relay (1.0) Calculated Property |
| Tc | 642.07 | K | Relay (1.0) Calculated Property |
| Tfus | 219.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.41; 447.26] | J/mol×K | [483.39; 662.75] | 
|
| Cp,gas | 364.41 | J/mol×K | 483.39 | Joback Calculated Property |
| Cp,gas | 379.98 | J/mol×K | 513.28 | Joback Calculated Property |
| Cp,gas | 394.82 | J/mol×K | 543.18 | Joback Calculated Property |
| Cp,gas | 408.94 | J/mol×K | 573.07 | Joback Calculated Property |
| Cp,gas | 422.38 | J/mol×K | 602.96 | Joback Calculated Property |
| Cp,gas | 435.15 | J/mol×K | 632.86 | Joback Calculated Property |
| Cp,gas | 447.26 | J/mol×K | 662.75 | Joback Calculated Property |
| η | [0.0002055; 0.0084823] | Pa×s | [247.21; 483.39] |
|
| η | 0.0084823 | Pa×s | 247.21 | Joback Calculated Property |
| η | 0.0029806 | Pa×s | 286.57 | Joback Calculated Property |
| η | 0.0013483 | Pa×s | 325.94 | Joback Calculated Property |
| η | 0.0007237 | Pa×s | 365.30 | Joback Calculated Property |
| η | 0.0004384 | Pa×s | 404.66 | Joback Calculated Property |
| η | 0.0002902 | Pa×s | 444.03 | Joback Calculated Property |
| η | 0.0002055 | Pa×s | 483.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2,2-dimethyl, methyl ester.
Sources
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