- InChI
- InChI=1S/C14H26O4/c1-7-8-11(4)18-13(16)14(5,6)12(15)17-9-10(2)3/h10-11H,7-9H2,1-6H3
- InChI Key
- OBGWFDUVCOJBLM-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
-
CCCC(C)OC(=O)C(C)(C)C(=O)OCC(C
)C - Molecular Weight1
- 258.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -995.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.944 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1578.46 | kPa | Joback Calculated Property |
| Inp | [1472.00; 1472.00] |
|
|
| Inp | 1472.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Tboil | 510.53 | K | Relay (1.0) Calculated Property |
| Tc | 701.66 | K | Relay (1.0) Calculated Property |
| Tfus | 229.22 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.06; 760.36] | 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 | 1.31430e+01 | |||
| Coefficient B | 1.36192e+00 | |||
| Coefficient C | -7.26800e-04 | |||
| Coefficient D | 1.12100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 333.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 408.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 476.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 537.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 590.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 636.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 676.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 710.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 738.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 760.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0077012; 0.0001184] | Pa×s | [304.62; 571.38] |
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 | -1.38097e+01 | |||
| Coefficient B | 2.72430e+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. | 304.62 | |||
| Temperature range, max. | 571.38 | |||
| η | 0.0077012 | Pa×s | 304.62 | Calculated Property |
| η | 0.0034846 | Pa×s | 334.26 | Calculated Property |
| η | 0.0017941 | Pa×s | 363.90 | Calculated Property |
| η | 0.0010209 | Pa×s | 393.54 | Calculated Property |
| η | 0.0006286 | Pa×s | 423.18 | Calculated Property |
| η | 0.0004125 | Pa×s | 452.82 | Calculated Property |
| η | 0.0002850 | Pa×s | 482.46 | Calculated Property |
| η | 0.0002056 | Pa×s | 512.10 | Calculated Property |
| η | 0.0001536 | Pa×s | 541.74 | Calculated Property |
| η | 0.0001184 | Pa×s | 571.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl 2-pentyl ester.
Sources
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