- InChI
- InChI=1S/C11H22O2/c1-5-6-7-8-9-11(2,3)10(12)13-4/h5-9H2,1-4H3
- InChI Key
- BAKOMPNQDRRCQN-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCC(C)(C)C(=O)OC
- Molecular Weight1
- 186.29
- CAS
- 14250-74-9
- Other Names
-
- methyl 2,2-dimethyloctanoate
- 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 | 0.5496 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | [1128.00; 1128.00] |
|
|
| Inp | 1128.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Tboil | 461.48 | K | Relay (1.0) Calculated Property |
| Tc | 659.75 | K | Relay (1.0) Calculated Property |
| Tfus | 226.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.71; 596.40] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.17500e+00 | |||
| Coefficient B | 1.11988e+00 | |||
| Coefficient C | -6.51800e-04 | |||
| Coefficient D | 1.34500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 253.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 314.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 368.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 416.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 458.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 494.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 526.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 553.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 576.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 596.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0077645; 0.0002302] | Pa×s | [258.48; 478.78] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.25047e+01 | |||
| Coefficient B | 1.97646e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 258.48 | |||
| Temperature range, max. | 478.78 | |||
| η | 0.0077645 | Pa×s | 258.48 | Calculated Property |
| η | 0.0040071 | Pa×s | 282.96 | Calculated Property |
| η | 0.0022978 | Pa×s | 307.44 | Calculated Property |
| η | 0.0014302 | Pa×s | 331.91 | Calculated Property |
| η | 0.0009501 | Pa×s | 356.39 | Calculated Property |
| η | 0.0006653 | Pa×s | 380.87 | Calculated Property |
| η | 0.0004863 | Pa×s | 405.35 | Calculated Property |
| η | 0.0003684 | Pa×s | 429.83 | Calculated Property |
| η | 0.0002875 | Pa×s | 454.30 | Calculated Property |
| η | 0.0002302 | Pa×s | 478.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2,2-dimethyl, methyl ester.
Sources
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