- InChI
- InChI=1S/C7H14O2/c1-3-7(4-2)5-9-6-8/h6-7H,3-5H2,1-2H3
- InChI Key
- BLXXXEMRXXPBOB-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCC(CC)COC=O
- Molecular Weight1
- 130.18
- 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 | 0.4489 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Inp | [905.00; 905.00] |
|
|
| Inp | 905.00 | NIST | |
| Inp | 905.00 | NIST | |
| Tboil | 422.62 | K | Relay (1.0) Calculated Property |
| Tc | 591.01 | K | Relay (1.0) Calculated Property |
| Tfus | 184.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.20; 301.13] | J/mol×K | [430.20; 605.74] |
|
| Cp,gas | 240.20 | J/mol×K | 430.20 | Joback Calculated Property |
| Cp,gas | 251.30 | J/mol×K | 459.46 | Joback Calculated Property |
| Cp,gas | 262.02 | J/mol×K | 488.71 | Joback Calculated Property |
| Cp,gas | 272.36 | J/mol×K | 517.97 | Joback Calculated Property |
| Cp,gas | 282.32 | J/mol×K | 547.23 | Joback Calculated Property |
| Cp,gas | 291.91 | J/mol×K | 576.48 | Joback Calculated Property |
| Cp,gas | 301.13 | J/mol×K | 605.74 | Joback Calculated Property |
| η | [0.0002728; 0.0054507] | Pa×s | [217.88; 430.20] |
|
| η | 0.0054507 | Pa×s | 217.88 | Joback Calculated Property |
| η | 0.0023348 | Pa×s | 253.27 | Joback Calculated Property |
| η | 0.0012312 | Pa×s | 288.65 | Joback Calculated Property |
| η | 0.0007466 | Pa×s | 324.04 | Joback Calculated Property |
| η | 0.0004996 | Pa×s | 359.43 | Joback Calculated Property |
| η | 0.0003593 | Pa×s | 394.81 | Joback Calculated Property |
| η | 0.0002728 | Pa×s | 430.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 2-ethylbutyl ester.
Sources
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