- InChI
- InChI=1S/C16H21ClO5/c1-3-4-5-8-21-15(18)10-20-11-16(19)22-14-7-6-13(17)9-12(14)2/h6-7,9H,3-5,8,10-11H2,1-2H3
- InChI Key
- PNTZAOZMYIUXNZ-UHFFFAOYSA-N
- Formula
- C16H21ClO5
- SMILES
-
CCCCCOC(=O)COCC(=O)Oc1ccc(Cl)c
c1C - Molecular Weight1
- 328.79
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8890 | Relay (1.0) Calculated Property | |
| ΔfG° | -407.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.304 | Crippen Calculated Property | |
| McVol | 245.530 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [2825.00; 2825.00] |
|
|
| Inp | 2825.00 | NIST | |
| Inp | 2825.00 | NIST | |
| Tboil | 632.22 | K | Relay (1.0) Calculated Property |
| Tc | 831.67 | K | Relay (1.0) Calculated Property |
| Tfus | 300.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.901 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [701.40; 766.80] | J/mol×K | [814.55; 1020.52] |
|
| Cp,gas | 701.40 | J/mol×K | 814.55 | Joback Calculated Property |
| Cp,gas | 714.92 | J/mol×K | 848.88 | Joback Calculated Property |
| Cp,gas | 727.39 | J/mol×K | 883.21 | Joback Calculated Property |
| Cp,gas | 738.82 | J/mol×K | 917.53 | Joback Calculated Property |
| Cp,gas | 749.20 | J/mol×K | 951.86 | Joback Calculated Property |
| Cp,gas | 758.53 | J/mol×K | 986.19 | Joback Calculated Property |
| Cp,gas | 766.80 | J/mol×K | 1020.52 | Joback Calculated Property |
| η | [0.0000631; 0.0004448] | Pa×s | [518.01; 814.55] |
|
| η | 0.0004448 | Pa×s | 518.01 | Joback Calculated Property |
| η | 0.0002788 | Pa×s | 567.43 | Joback Calculated Property |
| η | 0.0001883 | Pa×s | 616.86 | Joback Calculated Property |
| η | 0.0001348 | Pa×s | 666.28 | Joback Calculated Property |
| η | 0.0001011 | Pa×s | 715.70 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 765.13 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 814.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl pentyl ester.
Sources
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