- InChI
- InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
- InChI Key
- XJMMNTGIMDZPMU-UHFFFAOYSA-N
- Formula
- C6H10O4
- SMILES
- CC(CC(=O)O)CC(=O)O
- Molecular Weight1
- 146.14
- CAS
- 626-51-7
- Other Names
-
- 3-Methylpentanedioic acid
- Pentanedioic acid, 3-methyl-
- «beta»-Methylglutaric acid
- «beta»-Methylglutaric 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).
- Pvap : Vapor 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 | 0.7937 | Relay (1.0) Calculated Property | |
| ΔfG° | -534.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.572 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 4590.15 | kPa | Joback Calculated Property |
| Tboil | 493.48 | K | Relay (1.0) Calculated Property |
| Tc | 717.53 | K | Relay (1.0) Calculated Property |
| Tfus | 357.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.07; 315.96] | J/mol×K | [628.34; 804.84] | 
|
| Cp,gas | 278.07 | J/mol×K | 628.34 | Joback Calculated Property |
| Cp,gas | 285.25 | J/mol×K | 657.76 | Joback Calculated Property |
| Cp,gas | 292.08 | J/mol×K | 687.17 | Joback Calculated Property |
| Cp,gas | 298.55 | J/mol×K | 716.59 | Joback Calculated Property |
| Cp,gas | 304.69 | J/mol×K | 746.00 | Joback Calculated Property |
| Cp,gas | 310.49 | J/mol×K | 775.42 | Joback Calculated Property |
| Cp,gas | 315.96 | J/mol×K | 804.84 | Joback Calculated Property |
| η | [0.0000353; 0.0095884] | Pa×s | [363.88; 628.34] |
|
| η | 0.0095884 | Pa×s | 363.88 | Joback Calculated Property |
| η | 0.0022752 | Pa×s | 407.96 | Joback Calculated Property |
| η | 0.0007147 | Pa×s | 452.03 | Joback Calculated Property |
| η | 0.0002758 | Pa×s | 496.11 | Joback Calculated Property |
| η | 0.0001243 | Pa×s | 540.19 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 584.26 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 628.34 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [479.60; 607.13] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.98753e+01 | |||
| Coefficient B | -7.24164e+03 | |||
| Coefficient C | -1.09896e+02 | |||
| Temperature range, min. | 479.60 | |||
| Temperature range, max. | 607.13 | |||
| Pvap | 1.33 | kPa | 479.60 | Calculated Property |
| Pvap | 2.75 | kPa | 493.77 | Calculated Property |
| Pvap | 5.38 | kPa | 507.94 | Calculated Property |
| Pvap | 10.05 | kPa | 522.11 | Calculated Property |
| Pvap | 18.02 | kPa | 536.28 | Calculated Property |
| Pvap | 31.12 | kPa | 550.45 | Calculated Property |
| Pvap | 51.93 | kPa | 564.62 | Calculated Property |
| Pvap | 84.03 | kPa | 578.79 | Calculated Property |
| Pvap | 132.19 | kPa | 592.96 | Calculated Property |
| Pvap | 202.64 | kPa | 607.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylglutaric acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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