- InChI
- InChI=1S/C10H20O3/c1-8(2)10(11)13-7-9(3)5-6-12-4/h8-9H,5-7H2,1-4H3
- InChI Key
- WYQRCEYZRBWUHU-UHFFFAOYSA-N
- Formula
- C10H20O3
- SMILES
- COCCC(C)COC(=O)C(C)C
- Molecular Weight1
- 188.26
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.5743 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -697.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.858 | Crippen Calculated Property | |
| McVol | 165.070 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Tboil | 475.52 | K | Relay (1.0) Calculated Property |
| Tc | 649.74 | K | Relay (1.0) Calculated Property |
| Tfus | 200.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [388.54; 469.32] | J/mol×K | [508.16; 683.94] | 
|
| Cp,gas | 388.54 | J/mol×K | 508.16 | Joback Calculated Property |
| Cp,gas | 403.42 | J/mol×K | 537.46 | Joback Calculated Property |
| Cp,gas | 417.73 | J/mol×K | 566.75 | Joback Calculated Property |
| Cp,gas | 431.48 | J/mol×K | 596.05 | Joback Calculated Property |
| Cp,gas | 444.66 | J/mol×K | 625.35 | Joback Calculated Property |
| Cp,gas | 457.27 | J/mol×K | 654.65 | Joback Calculated Property |
| Cp,gas | 469.32 | J/mol×K | 683.94 | Joback Calculated Property |
| η | [0.0001515; 0.0095212] | Pa×s | [237.02; 508.16] |
|
| η | 0.0095212 | Pa×s | 237.02 | Joback Calculated Property |
| η | 0.0027477 | Pa×s | 282.21 | Joback Calculated Property |
| η | 0.0011175 | Pa×s | 327.40 | Joback Calculated Property |
| η | 0.0005653 | Pa×s | 372.59 | Joback Calculated Property |
| η | 0.0003314 | Pa×s | 417.78 | Joback Calculated Property |
| η | 0.0002156 | Pa×s | 462.97 | Joback Calculated Property |
| η | 0.0001515 | Pa×s | 508.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyric acid, 4-methoxy-2-methylbutyl ester.
Sources
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