- InChI
- InChI=1S/C16H19ClO4/c1-2-20-15(18)13-8-3-4-9-14(13)16(19)21-12-7-5-6-11(17)10-12/h5-7,10,13-14H,2-4,8-9H2,1H3
- InChI Key
- HXTYQKYEEFRHHB-UHFFFAOYSA-N
- Formula
- C16H19ClO4
- SMILES
-
CCOC(=O)C1CCCCC1C(=O)Oc1cccc(C
l)c1 - Molecular Weight1
- 310.77
- 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° | -276.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.615 | Crippen Calculated Property | |
| McVol | 228.800 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | [2210.00; 2210.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Tboil | 802.03 | K | Joback Calculated Property |
| Tc | 1034.41 | K | Joback Calculated Property |
| Tfus | 486.40 | K | Joback Calculated Property |
| Vc | 0.853 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.35; 745.90] | J/mol×K | [802.03; 1034.41] |
|
| Cp,gas | 672.35 | J/mol×K | 802.03 | Joback Calculated Property |
| Cp,gas | 688.24 | J/mol×K | 840.76 | Joback Calculated Property |
| Cp,gas | 702.65 | J/mol×K | 879.49 | Joback Calculated Property |
| Cp,gas | 715.61 | J/mol×K | 918.22 | Joback Calculated Property |
| Cp,gas | 727.13 | J/mol×K | 956.95 | Joback Calculated Property |
| Cp,gas | 737.22 | J/mol×K | 995.68 | Joback Calculated Property |
| Cp,gas | 745.90 | J/mol×K | 1034.41 | Joback Calculated Property |
| η | [0.0001095; 0.0008856] | Pa×s | [486.40; 802.03] |
|
| η | 0.0008856 | Pa×s | 486.40 | Joback Calculated Property |
| η | 0.0005274 | Pa×s | 539.00 | Joback Calculated Property |
| η | 0.0003444 | Pa×s | 591.61 | Joback Calculated Property |
| η | 0.0002411 | Pa×s | 644.22 | Joback Calculated Property |
| η | 0.0001781 | Pa×s | 696.82 | Joback Calculated Property |
| η | 0.0001373 | Pa×s | 749.42 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 802.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl ethyl ester.
Sources
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