- InChI
- InChI=1S/C11H18O5/c1-4-15-10(13)6-5-7-11(14)16-9(3)8(2)12/h9H,4-7H2,1-3H3
- InChI Key
- JYIIATMIXBDCJC-UHFFFAOYSA-N
- Formula
- C11H18O5
- SMILES
- CCOC(=O)CCCC(=O)OC(C)C(C)=O
- Molecular Weight1
- 230.26
- 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 | 0.6938 | Relay (1.0) Calculated Property | |
| ΔfG° | -710.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1038.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.241 | Crippen Calculated Property | |
| McVol | 182.300 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 531.46 | K | Relay (1.0) Calculated Property |
| Tc | 715.50 | K | Relay (1.0) Calculated Property |
| Tfus | 292.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.12; 592.60] | 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 | 4.93840e+01 | |||
| Coefficient B | 9.17160e-01 | |||
| Coefficient C | -3.69900e-04 | |||
| Coefficient D | -4.04000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 272.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 377.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 423.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 463.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 499.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 530.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 555.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 576.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 592.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037667; 0.0001959] | Pa×s | [333.32; 563.94] |
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 | -1.28108e+01 | |||
| Coefficient B | 2.40965e+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. | 333.32 | |||
| Temperature range, max. | 563.94 | |||
| η | 0.0037667 | Pa×s | 333.32 | Calculated Property |
| η | 0.0022482 | Pa×s | 358.94 | Calculated Property |
| η | 0.0014374 | Pa×s | 384.57 | Calculated Property |
| η | 0.0009718 | Pa×s | 410.19 | Calculated Property |
| η | 0.0006880 | Pa×s | 435.82 | Calculated Property |
| η | 0.0005061 | Pa×s | 461.44 | Calculated Property |
| η | 0.0003845 | Pa×s | 487.07 | Calculated Property |
| η | 0.0003003 | Pa×s | 512.69 | Calculated Property |
| η | 0.0002401 | Pa×s | 538.32 | Calculated Property |
| η | 0.0001959 | Pa×s | 563.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 3-oxobut-2-yl ester.
Sources
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