- InChI
- InChI=1S/C9H14O5/c1-6(5-8(11)12)3-4-9(13)14-7(2)10/h6H,3-5H2,1-2H3,(H,11,12)
- InChI Key
- NBRVVWSCRRSWQW-UHFFFAOYSA-N
- Formula
- C9H14O5
- SMILES
- CC(=O)OC(=O)CCC(C)CC(=O)O
- Molecular Weight1
- 202.20
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -606.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.57 | kJ/mol | Joback Calculated Property |
| log10WS | -1.09 | Crippen Calculated Property | |
| logPoct/wat | 0.967 | Crippen Calculated Property | |
| McVol | 154.120 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | 1636.00 | NIST | |
| Tboil | 681.09 | K | Joback Calculated Property |
| Tc | 866.83 | K | Joback Calculated Property |
| Tfus | 409.03 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.97; 462.83] | J/mol×K | [681.09; 866.83] | 
|
| Cp,gas | 410.97 | J/mol×K | 681.09 | Joback Calculated Property |
| Cp,gas | 420.95 | J/mol×K | 712.05 | Joback Calculated Property |
| Cp,gas | 430.39 | J/mol×K | 743.00 | Joback Calculated Property |
| Cp,gas | 439.30 | J/mol×K | 773.96 | Joback Calculated Property |
| Cp,gas | 447.67 | J/mol×K | 804.92 | Joback Calculated Property |
| Cp,gas | 455.51 | J/mol×K | 835.87 | Joback Calculated Property |
| Cp,gas | 462.83 | J/mol×K | 866.83 | Joback Calculated Property |
| η | [0.0000619; 0.0024732] | Pa×s | [409.03; 681.09] |
|
| η | 0.0024732 | Pa×s | 409.03 | Joback Calculated Property |
| η | 0.0009844 | Pa×s | 454.37 | Joback Calculated Property |
| η | 0.0004631 | Pa×s | 499.72 | Joback Calculated Property |
| η | 0.0002470 | Pa×s | 545.06 | Joback Calculated Property |
| η | 0.0001451 | Pa×s | 590.40 | Joback Calculated Property |
| η | 0.0000919 | Pa×s | 635.75 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 681.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyladipic acid, anhydride with acetic acid.
Sources
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