- InChI
- InChI=1S/C21H25ClO4/c1-12-6-17(2-3-18(12)22)25-19(23)4-5-20(24)26-21-15-8-13-7-14(10-15)11-16(21)9-13/h2-3,6,13-16,21H,4-5,7-11H2,1H3
- InChI Key
- KGVNNGBANNXFLC-UHFFFAOYSA-N
- Formula
- C21H25ClO4
- SMILES
-
Cc1cc(OC(=O)CCC(=O)OC2C3CC4CC(
C3)CC2C4)ccc1Cl - Molecular Weight1
- 376.87
- 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° | -105.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.93 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.702 | Crippen Calculated Property | |
| McVol | 277.530 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Inp | [3058.00; 3058.00] |
|
|
| Inp | 3058.00 | NIST | |
| Inp | 3058.00 | NIST | |
| Tboil | 921.68 | K | Joback Calculated Property |
| Tc | 1152.99 | K | Joback Calculated Property |
| Tfus | 593.95 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [923.87; 1006.17] | J/mol×K | [921.68; 1152.99] |
|
| Cp,gas | 923.87 | J/mol×K | 921.68 | Joback Calculated Property |
| Cp,gas | 940.17 | J/mol×K | 960.23 | Joback Calculated Property |
| Cp,gas | 955.29 | J/mol×K | 998.78 | Joback Calculated Property |
| Cp,gas | 969.35 | J/mol×K | 1037.34 | Joback Calculated Property |
| Cp,gas | 982.44 | J/mol×K | 1075.89 | Joback Calculated Property |
| Cp,gas | 994.68 | J/mol×K | 1114.44 | Joback Calculated Property |
| Cp,gas | 1006.17 | J/mol×K | 1152.99 | Joback Calculated Property |
| η | [0.0017108; 0.0037190] | Pa×s | [593.95; 921.68] |
|
| η | 0.0037190 | Pa×s | 593.95 | Joback Calculated Property |
| η | 0.0030942 | Pa×s | 648.57 | Joback Calculated Property |
| η | 0.0026490 | Pa×s | 703.19 | Joback Calculated Property |
| η | 0.0023193 | Pa×s | 757.82 | Joback Calculated Property |
| η | 0.0020672 | Pa×s | 812.44 | Joback Calculated Property |
| η | 0.0018694 | Pa×s | 867.06 | Joback Calculated Property |
| η | 0.0017108 | Pa×s | 921.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl adamant-2-yl ester.
Sources
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