- InChI
- InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
- InChI Key
- GOHPTLYPQCTZSE-UHFFFAOYSA-N
- Formula
- C6H10O4
- SMILES
- CC(C)(CC(=O)O)C(=O)O
- Molecular Weight1
- 146.14
- CAS
- 597-43-3
- Other Names
-
- 1,4-butanedioic acid, 2,2-dimethyl-
- 2,2-dimethyl-1,4-butanedioic acid
- 2,2-dimethylsuccinic acid
- Butanedioic acid, 2,2-dimethyl-
- succinic acid, 2,2-dimethyl-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2802.40 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 38.11 | kJ/mol | Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid |
| ΔvapH° | 94.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.572 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Tboil | 483.71 | K | Relay (1.0) Calculated Property |
| Tfus | [408.00; 414.15] | K |
|
| Tfus | 408.00 ± 5.00 | K | NIST |
| Tfus | 410.15 ± 2.00 | K | NIST |
| Tfus | 412.15 ± 1.50 | K | NIST |
| Tfus | 414.15 ± 1.50 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.75; 329.50] | J/mol×K | [624.67; 840.02] |
|
| Cp,gas | 286.75 | J/mol×K | 624.67 | Joback Calculated Property |
| Cp,gas | 295.29 | J/mol×K | 660.56 | Joback Calculated Property |
| Cp,gas | 303.19 | J/mol×K | 696.45 | Joback Calculated Property |
| Cp,gas | 310.52 | J/mol×K | 732.35 | Joback Calculated Property |
| Cp,gas | 317.31 | J/mol×K | 768.24 | Joback Calculated Property |
| Cp,gas | 323.62 | J/mol×K | 804.13 | Joback Calculated Property |
| Cp,gas | 329.50 | J/mol×K | 840.02 | Joback Calculated Property |
| η | [0.0002128; 0.0007570] | Pa×s | [481.00; 624.67] |
|
| η | 0.0007570 | Pa×s | 481.00 | Joback Calculated Property |
| η | 0.0005827 | Pa×s | 504.94 | Joback Calculated Property |
| η | 0.0004593 | Pa×s | 528.89 | Joback Calculated Property |
| η | 0.0003696 | Pa×s | 552.84 | Joback Calculated Property |
| η | 0.0003028 | Pa×s | 576.78 | Joback Calculated Property |
| η | 0.0002521 | Pa×s | 600.73 | Joback Calculated Property |
| η | 0.0002128 | Pa×s | 624.67 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [476.40; 608.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.93402e+01 | |||
| Coefficient B | -7.00404e+03 | |||
| Coefficient C | -1.08784e+02 | |||
| Temperature range, min. | 476.40 | |||
| Temperature range, max. | 608.05 | |||
| Pvap | 1.33 | kPa | 476.40 | Calculated Property |
| Pvap | 2.76 | kPa | 491.03 | Calculated Property |
| Pvap | 5.43 | kPa | 505.66 | Calculated Property |
| Pvap | 10.17 | kPa | 520.28 | Calculated Property |
| Pvap | 18.24 | kPa | 534.91 | Calculated Property |
| Pvap | 31.48 | kPa | 549.54 | Calculated Property |
| Pvap | 52.44 | kPa | 564.17 | Calculated Property |
| Pvap | 84.63 | kPa | 578.79 | Calculated Property |
| Pvap | 132.70 | kPa | 593.42 | Calculated Property |
| Pvap | 202.66 | kPa | 608.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylbutanedioic acid.
Mixtures
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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