- InChI
- InChI=1S/C9H18O4/c1-5-11-8(10)9(4,12-6-2)13-7-3/h5-7H2,1-4H3
- InChI Key
- BVAMIFTXHAJQHP-UHFFFAOYSA-N
- Formula
- C9H18O4
- SMILES
- CCOC(=O)C(C)(OCC)OCC
- Molecular Weight1
- 190.24
- Other Names
-
- Ethyl 2,2-diethoxypropanoate
- Propanoic acid, 2,2-diethoxy-, ethyl ester
- Propionic acid, 2,2-diethoxy-, ethyl ester
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5229 | Relay (1.0) Calculated Property | |
| ΔfG° | -492.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.339 | Crippen Calculated Property | |
| McVol | 156.850 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| Inp | [1106.00; 1106.00] |
|
|
| Inp | 1106.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Tboil | 460.88 | K | Relay (1.0) Calculated Property |
| Tc | 632.08 | K | Relay (1.0) Calculated Property |
| Tfus | 218.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 366.50 ± 0.50 | K | 3.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.09; 530.22] | 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 | 4.66430e+01 | |||
| Coefficient B | 8.03480e-01 | |||
| Coefficient C | -3.21000e-04 | |||
| Coefficient D | 1.10000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 290.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 335.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 375.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 411.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 495.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 514.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 530.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036618; 0.0001807] | Pa×s | [280.40; 479.43] |
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 | -1.28577e+01 | |||
| Coefficient B | 2.03232e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 280.40 | |||
| Temperature range, max. | 479.43 | |||
| η | 0.0036618 | Pa×s | 280.40 | Calculated Property |
| η | 0.0021557 | Pa×s | 302.51 | Calculated Property |
| η | 0.0013641 | Pa×s | 324.63 | Calculated Property |
| η | 0.0009150 | Pa×s | 346.74 | Calculated Property |
| η | 0.0006439 | Pa×s | 368.86 | Calculated Property |
| η | 0.0004715 | Pa×s | 390.97 | Calculated Property |
| η | 0.0003570 | Pa×s | 413.09 | Calculated Property |
| η | 0.0002780 | Pa×s | 435.20 | Calculated Property |
| η | 0.0002218 | Pa×s | 457.32 | Calculated Property |
| η | 0.0001807 | Pa×s | 479.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2,2-diethoxypropionate.
Sources
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