- InChI
- InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
- InChI Key
- TXXHDPDFNKHHGW-ZPUQHVIOSA-N
- Formula
- C6H6O4
- SMILES
- O=C(O)C=CC=CC(=O)O
- Molecular Weight1
- 142.11
- CAS
- 3588-17-8
- Other Names
-
- Muconic acid (trans)
- trans,trans-1,3-Butadiene-1,4-dicarboxylic acid
- 2,4-Hexadienedioic acid, (E,E)-
- (E,E)-Muconic acid
- trans,trans-buta-1,3-diene-1,4-dicarboxylic acid
- 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 | 0.7776 | Relay (1.0) Calculated Property | |
| ΔfG° | -527.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.268 | Crippen Calculated Property | |
| McVol | 101.680 | ml/mol | McGowan Calculated Property |
| Pc | 4374.18 | kPa | Joback Calculated Property |
| Tboil | 593.20 | K | NIST |
| Tc | 713.81 | K | Relay (1.0) Calculated Property |
| Tfus | 558.15 ± 5.00 | K | NIST |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.66; 272.19] | J/mol×K | [636.22; 856.93] | 
|
| Cp,gas | 238.66 | J/mol×K | 636.22 | Joback Calculated Property |
| Cp,gas | 245.32 | J/mol×K | 673.01 | Joback Calculated Property |
| Cp,gas | 251.47 | J/mol×K | 709.79 | Joback Calculated Property |
| Cp,gas | 257.16 | J/mol×K | 746.58 | Joback Calculated Property |
| Cp,gas | 262.47 | J/mol×K | 783.36 | Joback Calculated Property |
| Cp,gas | 267.46 | J/mol×K | 820.15 | Joback Calculated Property |
| Cp,gas | 272.19 | J/mol×K | 856.93 | Joback Calculated Property |
| η | [0.0001750; 0.0006629] | Pa×s | [468.42; 636.22] |
|
| η | 0.0006629 | Pa×s | 468.42 | Joback Calculated Property |
| η | 0.0004987 | Pa×s | 496.39 | Joback Calculated Property |
| η | 0.0003868 | Pa×s | 524.35 | Joback Calculated Property |
| η | 0.0003078 | Pa×s | 552.32 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 580.29 | Joback Calculated Property |
| η | 0.0002076 | Pa×s | 608.25 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 636.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans,trans-Muconic acid.
Sources
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