- InChI
- InChI=1S/C12H21ClO3/c1-3-7-10(4-2)16-12(15)9-6-5-8-11(13)14/h10H,3-9H2,1-2H3
- InChI Key
- JXTRRRDOZBMDEB-UHFFFAOYSA-N
- Formula
- C12H21ClO3
- SMILES
- CCCC(CC)OC(=O)CCCCC(=O)Cl
- 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° | -327.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 201.190 | ml/mol | McGowan Calculated Property |
| Pc | 1906.90 | kPa | Joback Calculated Property |
| Inp | 1591.00 | NIST | |
| Tboil | 641.11 | K | Joback Calculated Property |
| Tc | 826.30 | K | Joback Calculated Property |
| Tfus | 362.01 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.93; 594.23] | J/mol×K | [641.11; 826.30] | 
|
| Cp,gas | 518.93 | J/mol×K | 641.11 | Joback Calculated Property |
| Cp,gas | 533.20 | J/mol×K | 671.97 | Joback Calculated Property |
| Cp,gas | 546.76 | J/mol×K | 702.84 | Joback Calculated Property |
| Cp,gas | 559.64 | J/mol×K | 733.70 | Joback Calculated Property |
| Cp,gas | 571.83 | J/mol×K | 764.57 | Joback Calculated Property |
| Cp,gas | 583.36 | J/mol×K | 795.43 | Joback Calculated Property |
| Cp,gas | 594.23 | J/mol×K | 826.30 | Joback Calculated Property |
| η | [0.0001669; 0.0025398] | Pa×s | [362.01; 641.11] |
|
| η | 0.0025398 | Pa×s | 362.01 | Joback Calculated Property |
| η | 0.0012461 | Pa×s | 408.53 | Joback Calculated Property |
| η | 0.0007072 | Pa×s | 455.04 | Joback Calculated Property |
| η | 0.0004458 | Pa×s | 501.56 | Joback Calculated Property |
| η | 0.0003039 | Pa×s | 548.08 | Joback Calculated Property |
| η | 0.0002200 | Pa×s | 594.59 | Joback Calculated Property |
| η | 0.0001669 | Pa×s | 641.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, monochloride 3-hexyl ester.
Sources
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