- InChI
- InChI=1S/C12H22O4/c1-4-7-10(8-5-2)16-12(14)9-11(13)15-6-3/h10H,4-9H2,1-3H3
- InChI Key
- IOCUMVIGYCVKEZ-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCCC(CCC)OC(=O)CC(=O)OCC
- 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 | 0.6941 | Relay (1.0) Calculated Property | |
| ΔfG° | -573.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -935.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.452 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | 1446.00 | NIST | |
| Tboil | 518.48 | K | Relay (1.0) Calculated Property |
| Tc | 698.97 | K | Relay (1.0) Calculated Property |
| Tfus | 187.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.41; 655.18] | 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 | 4.11160e+01 | |||
| Coefficient B | 1.04016e+00 | |||
| Coefficient C | -4.43000e-04 | |||
| Coefficient D | 1.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 292.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 410.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 461.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 507.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 547.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 582.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 611.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 636.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 655.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055341; 0.0001759] | Pa×s | [294.66; 535.87] |
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 | -1.28586e+01 | |||
| Coefficient B | 2.25762e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 294.66 | |||
| Temperature range, max. | 535.87 | |||
| η | 0.0055341 | Pa×s | 294.66 | Calculated Property |
| η | 0.0029217 | Pa×s | 321.46 | Calculated Property |
| η | 0.0017018 | Pa×s | 348.26 | Calculated Property |
| η | 0.0010709 | Pa×s | 375.06 | Calculated Property |
| η | 0.0007168 | Pa×s | 401.86 | Calculated Property |
| η | 0.0005045 | Pa×s | 428.66 | Calculated Property |
| η | 0.0003701 | Pa×s | 455.46 | Calculated Property |
| η | 0.0002810 | Pa×s | 482.26 | Calculated Property |
| η | 0.0002196 | Pa×s | 509.07 | Calculated Property |
| η | 0.0001759 | Pa×s | 535.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, ethyl 4-heptyl ester.
Sources
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