- InChI
- InChI=1S/C10H20O2/c1-6-12-10(11)9(7(2)3)8(4)5/h7-9H,6H2,1-5H3
- InChI Key
- GNBAFGHDBAZUPW-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCOC(=O)C(C(C)C)C(C)C
- Molecular Weight1
- 172.26
- Other Names
-
- Butanoic acid, 3-methyl-2-(1-methylethyl), ethyl ester
- 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 | 0.4641 | Relay (1.0) Calculated Property | |
| ΔfG° | -284.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.478 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | [1047.00; 1047.00] |
|
|
| Inp | 1047.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Tboil | 422.30 | K | Relay (1.0) Calculated Property |
| Tc | 633.55 | K | Relay (1.0) Calculated Property |
| Tfus | 222.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.21; 446.02] | J/mol×K | [485.30; 665.42] |
|
| Cp,gas | 362.21 | J/mol×K | 485.30 | Joback Calculated Property |
| Cp,gas | 377.77 | J/mol×K | 515.32 | Joback Calculated Property |
| Cp,gas | 392.68 | J/mol×K | 545.34 | Joback Calculated Property |
| Cp,gas | 406.95 | J/mol×K | 575.36 | Joback Calculated Property |
| Cp,gas | 420.60 | J/mol×K | 605.38 | Joback Calculated Property |
| Cp,gas | 433.61 | J/mol×K | 635.40 | Joback Calculated Property |
| Cp,gas | 446.02 | J/mol×K | 665.42 | Joback Calculated Property |
| η | [0.0001777; 0.0312223] | Pa×s | [199.79; 485.30] |
|
| η | 0.0312223 | Pa×s | 199.79 | Joback Calculated Property |
| η | 0.0057614 | Pa×s | 247.38 | Joback Calculated Property |
| η | 0.0018340 | Pa×s | 294.96 | Joback Calculated Property |
| η | 0.0008024 | Pa×s | 342.55 | Joback Calculated Property |
| η | 0.0004295 | Pa×s | 390.13 | Joback Calculated Property |
| η | 0.0002634 | Pa×s | 437.72 | Joback Calculated Property |
| η | 0.0001777 | Pa×s | 485.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-isopropyl-3-methyl, ethyl ester.
Sources
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