- 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
- CAS
- 762-21-0
- Other Names
-
- Acetylenedicarboxylic acid, diethyl ester
- Bis-(Ethoxycarbonyl)acetylene
- Di-Ethyl acetylenedicarboxylate
- diethyl 2-butynedioate
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4010.00 | kJ/mol | NIST |
| ΔfG° | -248.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.75 | kJ/mol | Joback 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° | 25.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.87 | kJ/mol | Joback Calculated Property |
| log10WS | -0.69 | Crippen Calculated Property | |
| logPoct/wat | 0.116 | Crippen Calculated Property | |
| McVol | 129.860 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Tboil | 544.02 | K | Joback Calculated Property |
| Tc | 750.31 | K | Joback Calculated Property |
| Tfus | 430.34 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.58; 341.73] | J/mol×K | [544.02; 750.31] |
|
| Cp,gas | 285.58 | J/mol×K | 544.02 | Joback Calculated Property |
| Cp,gas | 296.01 | J/mol×K | 578.40 | Joback Calculated Property |
| Cp,gas | 306.03 | J/mol×K | 612.78 | Joback Calculated Property |
| Cp,gas | 315.63 | J/mol×K | 647.17 | Joback Calculated Property |
| Cp,gas | 324.79 | J/mol×K | 681.55 | Joback Calculated Property |
| Cp,gas | 333.49 | J/mol×K | 715.93 | Joback Calculated Property |
| Cp,gas | 341.73 | J/mol×K | 750.31 | 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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