- InChI
- InChI=1S/C14H28O2/c1-5-6-7-8-9-10-11-13(15)16-12-14(2,3)4/h5-12H2,1-4H3
- InChI Key
- HEUVBUBESLJSMH-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCCCCC(=O)OCC(C)(C)C
- Molecular Weight1
- 228.37
- Other Names
-
- Nonoic acid, neopentyl 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).
- 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° | -164.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.62 | 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 | 1603.85 | kPa | Joback Calculated Property |
| Inp | [1481.00; 1481.00] |
|
|
| Inp | 1481.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Tboil | 592.78 | K | Joback Calculated Property |
| Tc | 768.58 | K | Joback Calculated Property |
| Tfus | 322.12 | K | Joback Calculated Property |
| Vc | 0.833 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.76; 663.85] | J/mol×K | [592.78; 768.58] |
|
| Cp,gas | 569.76 | J/mol×K | 592.78 | Joback Calculated Property |
| Cp,gas | 587.39 | J/mol×K | 622.08 | Joback Calculated Property |
| Cp,gas | 604.22 | J/mol×K | 651.38 | Joback Calculated Property |
| Cp,gas | 620.25 | J/mol×K | 680.68 | Joback Calculated Property |
| Cp,gas | 635.52 | J/mol×K | 709.98 | Joback Calculated Property |
| Cp,gas | 650.04 | J/mol×K | 739.28 | Joback Calculated Property |
| Cp,gas | 663.85 | J/mol×K | 768.58 | Joback Calculated Property |
| η | [0.0001373; 0.0032737] | Pa×s | [322.12; 592.78] |
|
| η | 0.0032737 | Pa×s | 322.12 | Joback Calculated Property |
| η | 0.0013947 | Pa×s | 367.23 | Joback Calculated Property |
| η | 0.0007161 | Pa×s | 412.34 | Joback Calculated Property |
| η | 0.0004194 | Pa×s | 457.45 | Joback Calculated Property |
| η | 0.0002703 | Pa×s | 502.56 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 547.67 | Joback Calculated Property |
| η | 0.0001373 | Pa×s | 592.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, neopentyl ester.
Sources
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