- InChI
- InChI=1S/C10H20O2/c1-4-9(2)7-5-6-8-10(11)12-3/h9H,4-8H2,1-3H3
- InChI Key
- MMQPDXPEMSYPFH-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCC(C)CCCCC(=O)OC
- Molecular Weight1
- 172.26
- CAS
- 5129-62-4
- Other Names
-
- Octanoic acid, 6-methyl, methyl ester
- 5-Methyl-heptanecarboxylicacidmethylester
- 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.
- I : 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 | 0.5592 | Relay (1.0) Calculated Property | |
| ΔfG° | -279.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.766 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2133.46 | kPa | Joback Calculated Property |
| Inp | [1188.90; 1198.00] |
|
|
| Inp | 1188.90 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1188.90 | NIST | |
| I | 1482.00 | NIST | |
| Tboil | 466.58 | K | Relay (1.0) Calculated Property |
| Tc | 656.46 | K | Relay (1.0) Calculated Property |
| Tfus | 213.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.91; 442.05] | J/mol×K | [486.18; 659.02] |
|
| Cp,gas | 361.91 | J/mol×K | 486.18 | Joback Calculated Property |
| Cp,gas | 376.70 | J/mol×K | 514.99 | Joback Calculated Property |
| Cp,gas | 390.91 | J/mol×K | 543.79 | Joback Calculated Property |
| Cp,gas | 404.54 | J/mol×K | 572.60 | Joback Calculated Property |
| Cp,gas | 417.60 | J/mol×K | 601.41 | Joback Calculated Property |
| Cp,gas | 430.10 | J/mol×K | 630.21 | Joback Calculated Property |
| Cp,gas | 442.05 | J/mol×K | 659.02 | Joback Calculated Property |
| η | [0.0001976; 0.0093278] | Pa×s | [229.79; 486.18] |
|
| η | 0.0093278 | Pa×s | 229.79 | Joback Calculated Property |
| η | 0.0029651 | Pa×s | 272.52 | Joback Calculated Property |
| η | 0.0012860 | Pa×s | 315.25 | Joback Calculated Property |
| η | 0.0006808 | Pa×s | 357.99 | Joback Calculated Property |
| η | 0.0004128 | Pa×s | 400.72 | Joback Calculated Property |
| η | 0.0002756 | Pa×s | 443.45 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 486.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 6-methyloctanoate.
Sources
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