- InChI
- InChI=1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
- InChI Key
- DVSDDICSXBCMQJ-UHFFFAOYSA-N
- Formula
- C10H16O5
- SMILES
- CCOC(=O)CC(C(C)=O)C(=O)OCC
- Molecular Weight1
- 216.23
- Other Names
-
- Acetylsuccinic acid diethyl ester
- Diethyl 2-acetylsuccinate
- Diethyl acetosuccinate
- Diethyl acetylsuccinate
- Ethyl acetylsuccinate
- Succinic acid, acetyl-, diethyl 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).
- 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 | 0.6098 | Relay (1.0) Calculated Property | |
| ΔfG° | -718.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1004.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.708 | Crippen Calculated Property | |
| McVol | 168.210 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Tboil | [528.00; 528.20] | K |
|
| Tboil | 528.20 | K | NIST |
| Tboil | 528.00 ± 1.00 | K | NIST |
| Tc | 708.88 | K | Relay (1.0) Calculated Property |
| Tfus | 280.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [414.00; 454.70] | K | [2.00; 6.70] |
|
| Tboilr | 414.00 ± 1.00 | K | 2.00 | NIST |
| Tboilr | 454.70 | K | 6.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.90; 541.01] | 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 | 5.02930e+01 | |||
| Coefficient B | 8.22160e-01 | |||
| Coefficient C | -3.15500e-04 | |||
| Coefficient D | -1.59400e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 346.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 388.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 424.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 457.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 508.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 541.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041494; 0.0002121] | Pa×s | [322.05; 549.19] |
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 | -1.26746e+01 | |||
| Coefficient B | 2.31549e+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. | 322.05 | |||
| Temperature range, max. | 549.19 | |||
| η | 0.0041494 | Pa×s | 322.05 | Calculated Property |
| η | 0.0024608 | Pa×s | 347.29 | Calculated Property |
| η | 0.0015664 | Pa×s | 372.52 | Calculated Property |
| η | 0.0010559 | Pa×s | 397.76 | Calculated Property |
| η | 0.0007461 | Pa×s | 423.00 | Calculated Property |
| η | 0.0005482 | Pa×s | 448.24 | Calculated Property |
| η | 0.0004163 | Pa×s | 473.47 | Calculated Property |
| η | 0.0003250 | Pa×s | 498.71 | Calculated Property |
| η | 0.0002599 | Pa×s | 523.95 | Calculated Property |
| η | 0.0002121 | Pa×s | 549.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, acetyl-, diethyl ester.
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