- InChI
- InChI=1S/C24H46O4/c1-3-27-23(25)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(26)28-4-2/h3-22H2,1-2H3
- InChI Key
- ZNDDDTDMKPWMKU-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCOC(=O)CCCCCCCCCCCCCCCCCCC(=O
)OCC - Molecular Weight1
- 398.63
- 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 | 1.1807 | Relay (1.0) Calculated Property | |
| ΔfG° | -469.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1157.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.134 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 810.76 | kPa | Joback Calculated Property |
| Inp | [2791.30; 2791.30] |
|
|
| Inp | 2791.30 | NIST | |
| Inp | 2791.30 | NIST | |
| Tboil | 634.87 | K | Relay (1.0) Calculated Property |
| Tc | 812.98 | K | Relay (1.0) Calculated Property |
| Tfus | 326.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.431 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.29; 1273.73] | 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 | 3.18900e+01 | |||
| Coefficient B | 2.17424e+00 | |||
| Coefficient C | -1.09260e-03 | |||
| Coefficient D | 1.60200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 547.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 671.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 783.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 884.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 973.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1052.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1121.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1181.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1231.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1273.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008807; 0.0000433] | Pa×s | [444.90; 741.80] |
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 | -1.45640e+01 | |||
| Coefficient B | 3.34972e+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. | 444.90 | |||
| Temperature range, max. | 741.80 | |||
| η | 0.0008807 | Pa×s | 444.90 | Calculated Property |
| η | 0.0005237 | Pa×s | 477.89 | Calculated Property |
| η | 0.0003331 | Pa×s | 510.88 | Calculated Property |
| η | 0.0002238 | Pa×s | 543.87 | Calculated Property |
| η | 0.0001573 | Pa×s | 576.85 | Calculated Property |
| η | 0.0001149 | Pa×s | 609.84 | Calculated Property |
| η | 0.0000867 | Pa×s | 642.83 | Calculated Property |
| η | 0.0000672 | Pa×s | 675.82 | Calculated Property |
| η | 0.0000534 | Pa×s | 708.81 | Calculated Property |
| η | 0.0000433 | Pa×s | 741.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl icosanedioate.
Sources
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