- InChI
- InChI=1S/C17H21ClO4/c1-2-10-21-16(19)14-8-3-4-9-15(14)17(20)22-13-7-5-6-12(18)11-13/h5-7,11,14-15H,2-4,8-10H2,1H3
- InChI Key
- QSVCXDSXLXGQPS-UHFFFAOYSA-N
- Formula
- C17H21ClO4
- SMILES
-
CCCOC(=O)C1CCCCC1C(=O)Oc1cccc(
Cl)c1 - Molecular Weight1
- 324.80
- 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° | -267.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 4.005 | Crippen Calculated Property | |
| McVol | 242.890 | ml/mol | McGowan Calculated Property |
| Pc | 1878.90 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 824.91 | K | Joback Calculated Property |
| Tc | 1053.94 | K | Joback Calculated Property |
| Tfus | 497.67 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [729.03; 802.47] | J/mol×K | [824.91; 1053.94] |
|
| Cp,gas | 729.03 | J/mol×K | 824.91 | Joback Calculated Property |
| Cp,gas | 744.93 | J/mol×K | 863.08 | Joback Calculated Property |
| Cp,gas | 759.35 | J/mol×K | 901.25 | Joback Calculated Property |
| Cp,gas | 772.29 | J/mol×K | 939.42 | Joback Calculated Property |
| Cp,gas | 783.78 | J/mol×K | 977.60 | Joback Calculated Property |
| Cp,gas | 793.83 | J/mol×K | 1015.77 | Joback Calculated Property |
| Cp,gas | 802.47 | J/mol×K | 1053.94 | Joback Calculated Property |
| η | [0.0000961; 0.0008127] | Pa×s | [497.67; 824.91] |
|
| η | 0.0008127 | Pa×s | 497.67 | Joback Calculated Property |
| η | 0.0004777 | Pa×s | 552.21 | Joback Calculated Property |
| η | 0.0003089 | Pa×s | 606.75 | Joback Calculated Property |
| η | 0.0002147 | Pa×s | 661.29 | Joback Calculated Property |
| η | 0.0001577 | Pa×s | 715.83 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 770.37 | Joback Calculated Property |
| η | 0.0000961 | Pa×s | 824.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl propyl ester.
Sources
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