- InChI
- InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
- InChI Key
- VZCYOOQTPOCHFL-OWOJBTEDSA-N
- Formula
- C4H4O4
- SMILES
- O=C(O)C=CC(=O)O
- Molecular Weight1
- 116.07
- 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).
- 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 | 0.7584 | Relay (1.0) Calculated Property | |
| ΔfG° | -624.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.288 | Crippen Calculated Property | |
| McVol | 77.800 | ml/mol | McGowan Calculated Property |
| Pc | 5312.41 | kPa | Joback Calculated Property |
| Tboil | 509.89 | K | Relay (1.0) Calculated Property |
| Tc | 682.44 | K | Relay (1.0) Calculated Property |
| Tfus | 491.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.278 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.58; 216.67] | 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 | -5.73000e+00 | |||
| Coefficient B | 5.05400e-01 | |||
| Coefficient C | -4.22800e-04 | |||
| Coefficient D | 1.39800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 126.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 161.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 174.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 186.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 195.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 203.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 210.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 216.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007416; 0.0002789] | Pa×s | [450.96; 563.98] |
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 | -1.20878e+01 | |||
| Coefficient B | 2.20120e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 450.96 | |||
| Temperature range, max. | 563.98 | |||
| η | 0.0007416 | Pa×s | 450.96 | Calculated Property |
| η | 0.0006498 | Pa×s | 463.52 | Calculated Property |
| η | 0.0005733 | Pa×s | 476.08 | Calculated Property |
| η | 0.0005090 | Pa×s | 488.63 | Calculated Property |
| η | 0.0004547 | Pa×s | 501.19 | Calculated Property |
| η | 0.0004084 | Pa×s | 513.75 | Calculated Property |
| η | 0.0003687 | Pa×s | 526.31 | Calculated Property |
| η | 0.0003345 | Pa×s | 538.86 | Calculated Property |
| η | 0.0003048 | Pa×s | 551.42 | Calculated Property |
| η | 0.0002789 | Pa×s | 563.98 | Calculated Property |
Similar Compounds
Find more compounds similar to (2E)-2-butenedioic acid.
Sources
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