- InChI
- InChI=1S/C16H21ClO4/c1-10(2)12(4)20-15(18)7-8-16(19)21-14-6-5-11(3)9-13(14)17/h5-6,9-10,12H,7-8H2,1-4H3
- InChI Key
- BXKBMLLVFBPDGP-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
Cc1ccc(OC(=O)CCC(=O)OC(C)C(C)C
)c(Cl)c1 - Molecular Weight1
- 312.79
- 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° | -307.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 3.922 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [2138.00; 2138.00] |
|
|
| Inp | 2138.00 | NIST | |
| Inp | 2138.00 | NIST | |
| Tboil | 791.25 | K | Joback Calculated Property |
| Tc | 1003.34 | K | Joback Calculated Property |
| Tfus | 465.78 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.30; 745.38] | J/mol×K | [791.25; 1003.34] |
|
| Cp,gas | 675.30 | J/mol×K | 791.25 | Joback Calculated Property |
| Cp,gas | 689.60 | J/mol×K | 826.60 | Joback Calculated Property |
| Cp,gas | 702.84 | J/mol×K | 861.95 | Joback Calculated Property |
| Cp,gas | 715.02 | J/mol×K | 897.30 | Joback Calculated Property |
| Cp,gas | 726.17 | J/mol×K | 932.64 | Joback Calculated Property |
| Cp,gas | 736.28 | J/mol×K | 967.99 | Joback Calculated Property |
| Cp,gas | 745.38 | J/mol×K | 1003.34 | Joback Calculated Property |
| η | [0.0000705; 0.0007862] | Pa×s | [465.78; 791.25] |
|
| η | 0.0007862 | Pa×s | 465.78 | Joback Calculated Property |
| η | 0.0004265 | Pa×s | 520.02 | Joback Calculated Property |
| η | 0.0002597 | Pa×s | 574.27 | Joback Calculated Property |
| η | 0.0001722 | Pa×s | 628.51 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 682.76 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 737.00 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 791.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2-chloro-4-methylphenyl ester.
Sources
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