- InChI
- InChI=1S/C12H21ClO3/c1-4-10(9(2)3)16-12(15)8-6-5-7-11(13)14/h9-10H,4-8H2,1-3H3
- InChI Key
- JFCJPOAVRSQYAA-UHFFFAOYSA-N
- Formula
- C12H21ClO3
- SMILES
- CCC(OC(=O)CCCCC(=O)Cl)C(C)C
- Molecular Weight1
- 248.75
- 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° | -329.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.290 | Crippen Calculated Property | |
| McVol | 201.190 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | [1578.00; 1578.00] |
|
|
| Inp | 1578.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Tboil | 640.67 | K | Joback Calculated Property |
| Tc | 828.94 | K | Joback Calculated Property |
| Tfus | 347.01 | K | Joback Calculated Property |
| Vc | 0.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.39; 595.87] | J/mol×K | [640.67; 828.94] |
|
| Cp,gas | 519.39 | J/mol×K | 640.67 | Joback Calculated Property |
| Cp,gas | 533.93 | J/mol×K | 672.05 | Joback Calculated Property |
| Cp,gas | 547.74 | J/mol×K | 703.43 | Joback Calculated Property |
| Cp,gas | 560.83 | J/mol×K | 734.81 | Joback Calculated Property |
| Cp,gas | 573.20 | J/mol×K | 766.19 | Joback Calculated Property |
| Cp,gas | 584.88 | J/mol×K | 797.57 | Joback Calculated Property |
| Cp,gas | 595.87 | J/mol×K | 828.94 | Joback Calculated Property |
| η | [0.0001552; 0.0032460] | Pa×s | [347.01; 640.67] |
|
| η | 0.0032460 | Pa×s | 347.01 | Joback Calculated Property |
| η | 0.0014297 | Pa×s | 395.95 | Joback Calculated Property |
| η | 0.0007542 | Pa×s | 444.90 | Joback Calculated Property |
| η | 0.0004517 | Pa×s | 493.84 | Joback Calculated Property |
| η | 0.0002967 | Pa×s | 542.78 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 591.73 | Joback Calculated Property |
| η | 0.0001552 | Pa×s | 640.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, monochloride 2-methylpent-3-yl ester.
Sources
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