- InChI
- InChI=1S/C12H24O2/c1-5-8-10(4)9-14-12(13)11(6-2)7-3/h10-11H,5-9H2,1-4H3
- InChI Key
- CMLILCIKJQYHFF-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCCC(C)COC(=O)C(CC)CC
- Molecular Weight1
- 200.32
- 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).
- 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 | 0.5947 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.09 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.402 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [1182.00; 1182.00] |
|
|
| Inp | 1182.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Tboil | 482.01 | K | Relay (1.0) Calculated Property |
| Tc | 675.61 | K | Relay (1.0) Calculated Property |
| Tfus | 183.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.41; 547.09] | J/mol×K | [531.50; 704.95] |
|
| Cp,gas | 457.41 | J/mol×K | 531.50 | Joback Calculated Property |
| Cp,gas | 474.06 | J/mol×K | 560.41 | Joback Calculated Property |
| Cp,gas | 490.02 | J/mol×K | 589.32 | Joback Calculated Property |
| Cp,gas | 505.29 | J/mol×K | 618.22 | Joback Calculated Property |
| Cp,gas | 519.88 | J/mol×K | 647.13 | Joback Calculated Property |
| Cp,gas | 533.81 | J/mol×K | 676.04 | Joback Calculated Property |
| Cp,gas | 547.09 | J/mol×K | 704.95 | Joback Calculated Property |
| η | [0.0001539; 0.0130987] | Pa×s | [237.33; 531.50] |
|
| η | 0.0130987 | Pa×s | 237.33 | Joback Calculated Property |
| η | 0.0033125 | Pa×s | 286.36 | Joback Calculated Property |
| η | 0.0012521 | Pa×s | 335.39 | Joback Calculated Property |
| η | 0.0006066 | Pa×s | 384.41 | Joback Calculated Property |
| η | 0.0003462 | Pa×s | 433.44 | Joback Calculated Property |
| η | 0.0002215 | Pa×s | 482.47 | Joback Calculated Property |
| η | 0.0001539 | Pa×s | 531.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2-methylpentyl ester.
Sources
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