- InChI
- InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3
- InChI Key
- GXARNRCIGKRBAP-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCC(C)CCC(=O)OCC
- Molecular Weight1
- 186.29
- CAS
- 56196-53-3
- Other Names
-
- ethyl 4-methyloctanoate
- 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 | 0.5875 | Relay (1.0) Calculated Property | |
| ΔfG° | -271.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | [1252.00; 1267.00] |
|
|
| Inp | 1252.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Tboil | 477.27 | K | Relay (1.0) Calculated Property |
| Tc | 659.43 | K | Relay (1.0) Calculated Property |
| Tfus | 194.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.63; 492.92] | J/mol×K | [509.06; 680.56] |
|
| Cp,gas | 408.63 | J/mol×K | 509.06 | Joback Calculated Property |
| Cp,gas | 424.21 | J/mol×K | 537.64 | Joback Calculated Property |
| Cp,gas | 439.17 | J/mol×K | 566.23 | Joback Calculated Property |
| Cp,gas | 453.51 | J/mol×K | 594.81 | Joback Calculated Property |
| Cp,gas | 467.25 | J/mol×K | 623.39 | Joback Calculated Property |
| Cp,gas | 480.38 | J/mol×K | 651.97 | Joback Calculated Property |
| Cp,gas | 492.92 | J/mol×K | 680.56 | Joback Calculated Property |
| η | [0.0001804; 0.0086813] | Pa×s | [241.06; 509.06] |
|
| η | 0.0086813 | Pa×s | 241.06 | Joback Calculated Property |
| η | 0.0027481 | Pa×s | 285.73 | Joback Calculated Property |
| η | 0.0011873 | Pa×s | 330.39 | Joback Calculated Property |
| η | 0.0006264 | Pa×s | 375.06 | Joback Calculated Property |
| η | 0.0003787 | Pa×s | 419.73 | Joback Calculated Property |
| η | 0.0002522 | Pa×s | 464.39 | Joback Calculated Property |
| η | 0.0001804 | Pa×s | 509.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 4-methyl-, ethyl ester.
Sources
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