- InChI
- InChI=1S/C16H17Cl5O4/c1-4-8(7(2)3)24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h7-8H,4-6H2,1-3H3
- InChI Key
- YSEMQQRTRMGPRF-UHFFFAOYSA-N
- Formula
- C16H17Cl5O4
- SMILES
-
CCC(OC(=O)CCC(=O)Oc1c(Cl)c(Cl)
c(Cl)c(Cl)c1Cl)C(C)C - Molecular Weight1
- 450.57
- 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° | -384.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.26 | kJ/mol | Joback Calculated Property |
| log10WS | -7.29 | Crippen Calculated Property | |
| logPoct/wat | 6.617 | Crippen Calculated Property | |
| McVol | 288.620 | ml/mol | McGowan Calculated Property |
| Pc | 1508.15 | kPa | Joback Calculated Property |
| Inp | [2718.00; 2718.00] |
|
|
| Inp | 2718.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Tboil | 955.91 | K | Joback Calculated Property |
| Tc | 1185.64 | K | Joback Calculated Property |
| Tfus | 623.02 | K | Joback Calculated Property |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [758.16; 794.97] | J/mol×K | [955.91; 1185.64] |
|
| Cp,gas | 758.16 | J/mol×K | 955.91 | Joback Calculated Property |
| Cp,gas | 767.25 | J/mol×K | 994.20 | Joback Calculated Property |
| Cp,gas | 775.16 | J/mol×K | 1032.49 | Joback Calculated Property |
| Cp,gas | 781.88 | J/mol×K | 1070.78 | Joback Calculated Property |
| Cp,gas | 787.43 | J/mol×K | 1109.06 | Joback Calculated Property |
| Cp,gas | 791.79 | J/mol×K | 1147.35 | Joback Calculated Property |
| Cp,gas | 794.97 | J/mol×K | 1185.64 | Joback Calculated Property |
| η | [0.0000399; 0.0002475] | Pa×s | [623.02; 955.91] |
|
| η | 0.0002475 | Pa×s | 623.02 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 678.50 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 733.98 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 789.47 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 844.95 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 900.43 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 955.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylpent-3-yl pentachlorophenyl ester.
Sources
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