- InChI
- InChI=1S/C13H26O3/c1-5-12(6-2)13(14)16-10-8-11(3)7-9-15-4/h11-12H,5-10H2,1-4H3
- InChI Key
- SQCYWFMCZHYGDV-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCC(CC)C(=O)OCCC(C)CCOC
- Molecular Weight1
- 230.34
- 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 | 0.6575 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.028 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Inp | 1458.00 | NIST | |
| Tboil | 516.66 | K | Relay (1.0) Calculated Property |
| Tc | 703.00 | K | Relay (1.0) Calculated Property |
| Tfus | 201.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.746 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.19; 634.32] | J/mol×K | [594.67; 768.89] | 
|
| Cp,gas | 544.19 | J/mol×K | 594.67 | Joback Calculated Property |
| Cp,gas | 560.91 | J/mol×K | 623.71 | Joback Calculated Property |
| Cp,gas | 576.94 | J/mol×K | 652.74 | Joback Calculated Property |
| Cp,gas | 592.30 | J/mol×K | 681.78 | Joback Calculated Property |
| Cp,gas | 606.98 | J/mol×K | 710.81 | Joback Calculated Property |
| Cp,gas | 620.98 | J/mol×K | 739.85 | Joback Calculated Property |
| Cp,gas | 634.32 | J/mol×K | 768.89 | Joback Calculated Property |
| η | [0.0001176; 0.0037201] | Pa×s | [300.66; 594.67] |
|
| η | 0.0037201 | Pa×s | 300.66 | Joback Calculated Property |
| η | 0.0013975 | Pa×s | 349.66 | Joback Calculated Property |
| η | 0.0006678 | Pa×s | 398.66 | Joback Calculated Property |
| η | 0.0003751 | Pa×s | 447.67 | Joback Calculated Property |
| η | 0.0002361 | Pa×s | 496.67 | Joback Calculated Property |
| η | 0.0001615 | Pa×s | 545.67 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 594.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 5-methoxy-3-methylpentyl ester.
Sources
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