- InChI
- InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
- InChI Key
- VHILMKFSCRWWIJ-UHFFFAOYSA-N
- Formula
- C6H6O4
- SMILES
- COC(=O)C#CC(=O)OC
- Molecular Weight1
- 142.11
- CAS
- 762-42-5
- Other Names
-
- Acetylenedicarboxylic acid, dimethyl ester
- Bis(methoxycarbonyl)acetylene
- Dimethyl acetylenedicarboxylate
- Dimethyl butynedioate
- Dimethyl 2-butynedioate
- Methyl acetylenedicarboxylate
- 1,2-Bis(methoxycarbonyl)acetylene
- Dimethyl acetylenedicarboxylic acid
- Dimethyl 1,2-acetylenedicarboxylate
- Dimethyl butyne-1,4-dioate
- Dimethyl ethynedicarboxylate
- 1,2-Bis(methoxycarbonyl)ethyne
- Butynedioic acid dimethyl ester
- Bis(carbomethoxy)acetylene
- Di(carbomethoxy)acetylene
- But-2-ynedioic acid dimethyl ester
- 2-Butynedioic acid, 1,4-dimethyl ester
- NSC 14912
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -265.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.41 | kJ/mol | Joback Calculated Property |
| IE | 10.90 | eV | NIST |
| log10WS | 0.15 | Crippen Calculated Property | |
| logPoct/wat | -0.664 | Crippen Calculated Property | |
| McVol | 101.680 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Tboil | 498.26 | K | Joback Calculated Property |
| Tc | 711.06 | K | Joback Calculated Property |
| Tfus | 407.80 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.31; 245.46] | J/mol×K | [498.26; 711.06] | 
|
| Cp,gas | 202.31 | J/mol×K | 498.26 | Joback Calculated Property |
| Cp,gas | 210.17 | J/mol×K | 533.73 | Joback Calculated Property |
| Cp,gas | 217.79 | J/mol×K | 569.19 | Joback Calculated Property |
| Cp,gas | 225.15 | J/mol×K | 604.66 | Joback Calculated Property |
| Cp,gas | 232.23 | J/mol×K | 640.13 | Joback Calculated Property |
| Cp,gas | 239.01 | J/mol×K | 675.59 | Joback Calculated Property |
| Cp,gas | 245.46 | J/mol×K | 711.06 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 369.70 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Butynedioic acid, dimethyl ester.
Sources
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