- InChI
- InChI=1S/C12H20O4/c1-3-5-6-10-16-12(14)9-7-8-11(13)15-4-2/h3H,1,4-10H2,2H3
- InChI Key
- VAGFUPRFVODBFJ-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
- C=CCCCOC(=O)CCCC(=O)OCC
- Molecular Weight1
- 228.28
- 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 | 0.7022 | Relay (1.0) Calculated Property | |
| ΔfG° | -482.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [1587.00; 1587.00] |
|
|
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Tboil | 549.27 | K | Relay (1.0) Calculated Property |
| Tc | 714.05 | K | Relay (1.0) Calculated Property |
| Tfus | 239.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.716 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.91; 626.13] | 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 | 3.98070e+01 | |||
| Coefficient B | 1.01422e+00 | |||
| Coefficient C | -4.62700e-04 | |||
| Coefficient D | 3.48000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 282.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 342.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 444.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 487.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 525.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 557.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 585.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 608.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 626.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037033; 0.0001918] | Pa×s | [307.90; 533.70] |
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 | -1.25964e+01 | |||
| Coefficient B | 2.15464e+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. | 307.90 | |||
| Temperature range, max. | 533.70 | |||
| η | 0.0037033 | Pa×s | 307.90 | Calculated Property |
| η | 0.0021858 | Pa×s | 332.99 | Calculated Property |
| η | 0.0013890 | Pa×s | 358.08 | Calculated Property |
| η | 0.0009367 | Pa×s | 383.17 | Calculated Property |
| η | 0.0006630 | Pa×s | 408.25 | Calculated Property |
| η | 0.0004885 | Pa×s | 433.34 | Calculated Property |
| η | 0.0003721 | Pa×s | 458.43 | Calculated Property |
| η | 0.0002916 | Pa×s | 483.52 | Calculated Property |
| η | 0.0002340 | Pa×s | 508.61 | Calculated Property |
| η | 0.0001918 | Pa×s | 533.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl pent-4-enyl ester.
Sources
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