- InChI
- InChI=1S/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3
- InChI Key
- XIGZBCUFFUBWDM-UHFFFAOYSA-N
- Formula
- C11H20O3
- SMILES
- CCCCCC(C(C)=O)C(=O)OCC
- Molecular Weight1
- 200.27
- CAS
- 24317-94-0
- Other Names
-
- Ethyl 2-acetylheptanoate
- 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).
- 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 | 0.5881 | Relay (1.0) Calculated Property | |
| ΔfG° | -323.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.335 | Crippen Calculated Property | |
| McVol | 174.860 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Tboil | 509.39 | K | Relay (1.0) Calculated Property |
| Tc | 689.18 | K | Relay (1.0) Calculated Property |
| Tfus | 259.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.02; 515.97] | J/mol×K | [580.80; 763.33] | 
|
| Cp,gas | 439.02 | J/mol×K | 580.80 | Joback Calculated Property |
| Cp,gas | 453.42 | J/mol×K | 611.22 | Joback Calculated Property |
| Cp,gas | 467.17 | J/mol×K | 641.64 | Joback Calculated Property |
| Cp,gas | 480.30 | J/mol×K | 672.07 | Joback Calculated Property |
| Cp,gas | 492.80 | J/mol×K | 702.49 | Joback Calculated Property |
| Cp,gas | 504.69 | J/mol×K | 732.91 | Joback Calculated Property |
| Cp,gas | 515.97 | J/mol×K | 763.33 | Joback Calculated Property |
| η | [0.0002010; 0.0032667] | Pa×s | [320.82; 580.80] |
|
| η | 0.0032667 | Pa×s | 320.82 | Joback Calculated Property |
| η | 0.0015567 | Pa×s | 364.15 | Joback Calculated Property |
| η | 0.0008685 | Pa×s | 407.48 | Joback Calculated Property |
| η | 0.0005420 | Pa×s | 450.81 | Joback Calculated Property |
| η | 0.0003675 | Pa×s | 494.14 | Joback Calculated Property |
| η | 0.0002652 | Pa×s | 537.47 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 580.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2-acetyl-, ethyl ester.
Sources
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