- InChI
- InChI=1S/C12H22O4/c1-5-15-10(13)7-6-8-11(14)16-9-12(2,3)4/h5-9H2,1-4H3
- InChI Key
- BIBNLWLYFRCTPS-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CCCC(=O)OCC(C)(C)C
- Molecular Weight1
- 230.30
- 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 | 0.6909 | Relay (1.0) Calculated Property | |
| ΔfG° | -567.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.309 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1824.72 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1490.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Tboil | 531.32 | K | Relay (1.0) Calculated Property |
| Tc | 693.08 | K | Relay (1.0) Calculated Property |
| Tfus | 272.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.26; 656.10] | 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 | 1.83250e+01 | |||
| Coefficient B | 1.16008e+00 | |||
| Coefficient C | -6.11600e-04 | |||
| Coefficient D | 8.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 291.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 356.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 414.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 465.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 511.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 551.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 585.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 613.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 637.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 656.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046313; 0.0001693] | Pa×s | [312.08; 537.81] |
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 | -1.32586e+01 | |||
| Coefficient B | 2.46034e+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. | 312.08 | |||
| Temperature range, max. | 537.81 | |||
| η | 0.0046313 | Pa×s | 312.08 | Calculated Property |
| η | 0.0025763 | Pa×s | 337.16 | Calculated Property |
| η | 0.0015544 | Pa×s | 362.24 | Calculated Property |
| η | 0.0010013 | Pa×s | 387.32 | Calculated Property |
| η | 0.0006804 | Pa×s | 412.41 | Calculated Property |
| η | 0.0004833 | Pa×s | 437.49 | Calculated Property |
| η | 0.0003563 | Pa×s | 462.57 | Calculated Property |
| η | 0.0002710 | Pa×s | 487.65 | Calculated Property |
| η | 0.0002118 | Pa×s | 512.73 | Calculated Property |
| η | 0.0001693 | Pa×s | 537.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl neopentyl ester.
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