- InChI
- InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
- InChI Key
- LOLKAJARZKDJTD-UHFFFAOYSA-N
- Formula
- C6H10O4
- SMILES
- CCOC(=O)CCC(=O)O
- Molecular Weight1
- 146.14
- CAS
- 1070-34-4
- Other Names
-
- 4-ethoxy-4-oxobutanoic acid
- Butanedioic acid, 1-ethyl ester
- Butanedioic acid, monoethyl ester
- Monoethyl butanedioate
- Succinic acid monoethyl ester
- monoethyl succinate
- 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).
- Pvap : Vapor pressure (kPa).
- Ip : 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 | 0.7235 | Relay (1.0) Calculated Property | |
| ΔfG° | -654.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.414 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Ip | [2350.00; 2395.00] |
|
|
| Ip | 2367.00 | NIST | |
| Ip | 2395.00 | NIST | |
| Ip | 2368.00 | NIST | |
| Ip | 2350.00 | NIST | |
| Tboil | 509.41 | K | Relay (1.0) Calculated Property |
| Tc | 695.07 | K | Relay (1.0) Calculated Property |
| Tfus | 281.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.72; 347.76] | 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 | 2.74430e+01 | |||
| Coefficient B | 5.69820e-01 | |||
| Coefficient C | -2.80600e-04 | |||
| Coefficient D | 3.11000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 250.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 274.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 294.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 311.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 326.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 338.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 347.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078862; 0.0002969] | Pa×s | [281.15; 514.26] |
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 | -1.20774e+01 | |||
| Coefficient B | 2.03406e+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. | 281.15 | |||
| Temperature range, max. | 514.26 | |||
| η | 0.0078862 | Pa×s | 281.15 | Calculated Property |
| η | 0.0042838 | Pa×s | 307.05 | Calculated Property |
| η | 0.0025587 | Pa×s | 332.95 | Calculated Property |
| η | 0.0016463 | Pa×s | 358.85 | Calculated Property |
| η | 0.0011241 | Pa×s | 384.75 | Calculated Property |
| η | 0.0008054 | Pa×s | 410.66 | Calculated Property |
| η | 0.0006003 | Pa×s | 436.56 | Calculated Property |
| η | 0.0004624 | Pa×s | 462.46 | Calculated Property |
| η | 0.0003662 | Pa×s | 488.36 | Calculated Property |
| η | 0.0002969 | Pa×s | 514.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl hydrogen succinate.
Mixtures
- Ethyl Acetate + Ethyl hydrogen succinate
- Acetic acid + Ethyl hydrogen succinate
- Ethyl hydrogen succinate + Water
- Ethanol + Ethyl hydrogen succinate
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Phase equilibria in binary mixtures with monoethyl succinate
- Joback Method
- McGowan Method
- NIST Webbook
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