- InChI
- InChI=1S/C9H18O2/c1-5-8(7(3)4)9(10)11-6-2/h7-8H,5-6H2,1-4H3
- InChI Key
- LQQJUPMYOFCSCR-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCOC(=O)C(CC)C(C)C
- Molecular Weight1
- 158.24
- 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 | 0.4570 | Relay (1.0) Calculated Property | |
| ΔfG° | -290.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.232 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | 983.00 | NIST | |
| Tboil | 410.47 | K | Relay (1.0) Calculated Property |
| Tc | 623.45 | K | Relay (1.0) Calculated Property |
| Tfus | 207.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.24; 394.46] | J/mol×K | [462.86; 640.80] | 
|
| Cp,gas | 317.24 | J/mol×K | 462.86 | Joback Calculated Property |
| Cp,gas | 331.51 | J/mol×K | 492.52 | Joback Calculated Property |
| Cp,gas | 345.21 | J/mol×K | 522.17 | Joback Calculated Property |
| Cp,gas | 358.35 | J/mol×K | 551.83 | Joback Calculated Property |
| Cp,gas | 370.93 | J/mol×K | 581.49 | Joback Calculated Property |
| Cp,gas | 382.97 | J/mol×K | 611.15 | Joback Calculated Property |
| Cp,gas | 394.46 | J/mol×K | 640.80 | Joback Calculated Property |
| η | [0.0002041; 0.0178089] | Pa×s | [203.52; 462.86] |
|
| η | 0.0178089 | Pa×s | 203.52 | Joback Calculated Property |
| η | 0.0044041 | Pa×s | 246.74 | Joback Calculated Property |
| η | 0.0016519 | Pa×s | 289.97 | Joback Calculated Property |
| η | 0.0007991 | Pa×s | 333.19 | Joback Calculated Property |
| η | 0.0004567 | Pa×s | 376.41 | Joback Calculated Property |
| η | 0.0002929 | Pa×s | 419.64 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 462.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-ethyl-3-methyl, ethyl ester.
Sources
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