- InChI
- InChI=1S/C11H20O4/c1-2-15-11(14)9-7-5-3-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)
- InChI Key
- MTRYLAXNDGUFAK-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCOC(=O)CCCCCCCC(=O)O
- Molecular Weight1
- 216.28
- 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 | 0.9064 | Relay (1.0) Calculated Property | |
| ΔfG° | -612.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -929.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.365 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1666.20; 1666.20] |
|
|
| Inp | 1666.20 | NIST | |
| Inp | 1666.20 | NIST | |
| Tboil | 566.27 | K | Relay (1.0) Calculated Property |
| Tc | 749.97 | K | Relay (1.0) Calculated Property |
| Tfus | 327.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.79; 605.72] | 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 | 2.28980e+01 | |||
| Coefficient B | 1.04482e+00 | |||
| Coefficient C | -5.52600e-04 | |||
| Coefficient D | 9.06000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 380.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 426.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 468.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 505.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 536.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 563.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 586.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 605.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012701; 0.0002214] | Pa×s | [416.66; 587.30] |
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 | -1.26804e+01 | |||
| Coefficient B | 2.50486e+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. | 416.66 | |||
| Temperature range, max. | 587.30 | |||
| η | 0.0012701 | Pa×s | 416.66 | Calculated Property |
| η | 0.0009777 | Pa×s | 435.62 | Calculated Property |
| η | 0.0007692 | Pa×s | 454.58 | Calculated Property |
| η | 0.0006169 | Pa×s | 473.54 | Calculated Property |
| η | 0.0005033 | Pa×s | 492.50 | Calculated Property |
| η | 0.0004168 | Pa×s | 511.46 | Calculated Property |
| η | 0.0003498 | Pa×s | 530.42 | Calculated Property |
| η | 0.0002972 | Pa×s | 549.38 | Calculated Property |
| η | 0.0002553 | Pa×s | 568.34 | Calculated Property |
| η | 0.0002214 | Pa×s | 587.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Azelaic acid, monoethyl ester.
Sources
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