- InChI
- InChI=1S/C8H14O4/c1-5(7(9)10)3-4-6(2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
- InChI Key
- DWOXXMGPEQVGNI-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CC(CCC(C)C(=O)O)C(=O)O
- Molecular Weight1
- 174.19
- CAS
- 4454-18-6
- 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 | 0.8122 | Relay (1.0) Calculated Property | |
| ΔfG° | -519.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.208 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Tboil | 506.27 | K | Relay (1.0) Calculated Property |
| Tc | 724.65 | K | Relay (1.0) Calculated Property |
| Tfus | 365.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.495 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.77; 420.46] | J/mol×K | [673.66; 851.26] | 
|
| Cp,gas | 373.77 | J/mol×K | 673.66 | Joback Calculated Property |
| Cp,gas | 382.66 | J/mol×K | 703.26 | Joback Calculated Property |
| Cp,gas | 391.09 | J/mol×K | 732.86 | Joback Calculated Property |
| Cp,gas | 399.07 | J/mol×K | 762.46 | Joback Calculated Property |
| Cp,gas | 406.62 | J/mol×K | 792.06 | Joback Calculated Property |
| Cp,gas | 413.74 | J/mol×K | 821.66 | Joback Calculated Property |
| Cp,gas | 420.46 | J/mol×K | 851.26 | Joback Calculated Property |
| η | [0.0000206; 0.0094190] | Pa×s | [371.42; 673.66] |
|
| η | 0.0094190 | Pa×s | 371.42 | Joback Calculated Property |
| η | 0.0018445 | Pa×s | 421.79 | Joback Calculated Property |
| η | 0.0005115 | Pa×s | 472.17 | Joback Calculated Property |
| η | 0.0001816 | Pa×s | 522.54 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 572.91 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 623.29 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 673.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic acid, 2,5-dimethyl-.
Sources
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