- InChI
- InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h13H,4-12H2,1-3H3
- InChI Key
- HGOZECVJNYXKMC-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCCCCCCOC(=O)C(C)C
- Molecular Weight1
- 228.37
- CAS
- 5454-22-8
- Other Names
-
- Decyl isobutanoate
- Decyl isobutyrate
- Isobutyric acid, decyl ester
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -169.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 4.326 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1589.81 | kPa | Joback Calculated Property |
| Inp | 1590.00 | NIST | |
| Tboil | 595.57 | K | Joback Calculated Property |
| Tc | 766.26 | K | Joback Calculated Property |
| Tfus | 304.70 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.35; 660.10] | J/mol×K | [595.57; 766.26] | 
|
| Cp,gas | 567.35 | J/mol×K | 595.57 | Joback Calculated Property |
| Cp,gas | 584.55 | J/mol×K | 624.02 | Joback Calculated Property |
| Cp,gas | 601.04 | J/mol×K | 652.47 | Joback Calculated Property |
| Cp,gas | 616.82 | J/mol×K | 680.91 | Joback Calculated Property |
| Cp,gas | 631.92 | J/mol×K | 709.36 | Joback Calculated Property |
| Cp,gas | 646.34 | J/mol×K | 737.81 | Joback Calculated Property |
| Cp,gas | 660.10 | J/mol×K | 766.26 | Joback Calculated Property |
| η | [0.0001432; 0.0037349] | Pa×s | [304.70; 595.57] |
|
| η | 0.0037349 | Pa×s | 304.70 | Joback Calculated Property |
| η | 0.0014934 | Pa×s | 353.18 | Joback Calculated Property |
| η | 0.0007451 | Pa×s | 401.66 | Joback Calculated Property |
| η | 0.0004318 | Pa×s | 450.13 | Joback Calculated Property |
| η | 0.0002782 | Pa×s | 498.61 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 547.09 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 595.57 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [408.52; 576.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48256e+01 | |||
| Coefficient B | -4.61965e+03 | |||
| Coefficient C | -9.07560e+01 | |||
| Temperature range, min. | 408.52 | |||
| Temperature range, max. | 576.31 | |||
| Pvap | 1.33 | kPa | 408.52 | Calculated Property |
| Pvap | 2.98 | kPa | 427.16 | Calculated Property |
| Pvap | 6.14 | kPa | 445.81 | Calculated Property |
| Pvap | 11.75 | kPa | 464.45 | Calculated Property |
| Pvap | 21.13 | kPa | 483.09 | Calculated Property |
| Pvap | 36.05 | kPa | 501.74 | Calculated Property |
| Pvap | 58.72 | kPa | 520.38 | Calculated Property |
| Pvap | 91.84 | kPa | 539.02 | Calculated Property |
| Pvap | 138.59 | kPa | 557.67 | Calculated Property |
| Pvap | 202.63 | kPa | 576.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-, decyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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