- InChI
- InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3
- InChI Key
- STRNXFOUBFLVIN-UHFFFAOYSA-N
- Formula
- C8H10O4
- SMILES
- CCOC(=O)C#CC(=O)OCC
- Molecular Weight1
- 170.16
- Other Names
-
- Acetylenedicarboxylic acid, diethyl ester
- Bis-(Ethoxycarbonyl)acetylene
- Di-Ethyl acetylenedicarboxylate
- diethyl 2-butynedioate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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 | 0.5072 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4010.00 | kJ/mol | NIST |
| ΔfG° | -401.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-567.20; 600.80] | kJ/mol |
|
| ΔfH°liquid | -567.20 ± 4.00 | kJ/mol | NIST |
| ΔfH°liquid | 600.80 | kJ/mol | NIST |
| ΔfusH° | 28.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.116 | Crippen Calculated Property | |
| McVol | 129.860 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Tboil | 497.66 | K | Relay (1.0) Calculated Property |
| Tc | 631.89 | K | Relay (1.0) Calculated Property |
| Tfus | 271.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.497 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.00; 337.97] | J/mol×K | [508.08; 708.86] |
|
| Cp,gas | 280.00 | J/mol×K | 508.08 | Joback Calculated Property |
| Cp,gas | 290.89 | J/mol×K | 541.54 | Joback Calculated Property |
| Cp,gas | 301.31 | J/mol×K | 575.01 | Joback Calculated Property |
| Cp,gas | 311.24 | J/mol×K | 608.47 | Joback Calculated Property |
| Cp,gas | 320.66 | J/mol×K | 641.93 | Joback Calculated Property |
| Cp,gas | 329.58 | J/mol×K | 675.39 | Joback Calculated Property |
| Cp,gas | 337.97 | J/mol×K | 708.86 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Butynedioic acid, diethyl ester.
Sources
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