- InChI
- InChI=1S/C11H22O2/c1-5-7-8-9-11(3,6-2)10(12)13-4/h5-9H2,1-4H3
- InChI Key
- USKOGOZPQSNCMG-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCC(C)(CC)C(=O)OC
- Molecular Weight1
- 186.30
- 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 | 0.5269 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | [1128.00; 1128.00] |
|
|
| Inp | 1128.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Tboil | 463.57 | K | Relay (1.0) Calculated Property |
| Tc | 660.73 | K | Relay (1.0) Calculated Property |
| Tfus | 230.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.18; 497.91] | J/mol×K | [506.27; 683.97] |
|
| Cp,gas | 411.18 | J/mol×K | 506.27 | Joback Calculated Property |
| Cp,gas | 427.47 | J/mol×K | 535.89 | Joback Calculated Property |
| Cp,gas | 443.00 | J/mol×K | 565.50 | Joback Calculated Property |
| Cp,gas | 457.79 | J/mol×K | 595.12 | Joback Calculated Property |
| Cp,gas | 471.86 | J/mol×K | 624.74 | Joback Calculated Property |
| Cp,gas | 485.22 | J/mol×K | 654.36 | Joback Calculated Property |
| Cp,gas | 497.91 | J/mol×K | 683.97 | Joback Calculated Property |
| η | [0.0001840; 0.0077645] | Pa×s | [258.48; 506.27] |
|
| η | 0.0077645 | Pa×s | 258.48 | Joback Calculated Property |
| η | 0.0027079 | Pa×s | 299.78 | Joback Calculated Property |
| η | 0.0012188 | Pa×s | 341.08 | Joback Calculated Property |
| η | 0.0006518 | Pa×s | 382.38 | Joback Calculated Property |
| η | 0.0003938 | Pa×s | 423.67 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 464.97 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 506.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2-ethyl-2-methyl, methyl ester.
Sources
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