- InChI
- InChI=1S/C18H21ClO5/c1-4-7-14(5-2)23-17(20)8-6-9-18(21)24-15-11-10-13(19)12-16(15)22-3/h10-12,14H,5-6,8-9H2,1-3H3
- InChI Key
- QYYBGDFXPFOCHM-UHFFFAOYSA-N
- Formula
- C18H21ClO5
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1ccc(
Cl)cc1OC - Molecular Weight1
- 352.81
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -190.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 3.769 | Crippen Calculated Property | |
| McVol | 265.110 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | [2494.00; 2494.00] |
|
|
| Inp | 2494.00 | NIST | |
| Inp | 2494.00 | NIST | |
| Tboil | 868.87 | K | Joback Calculated Property |
| Tc | 1089.82 | K | Joback Calculated Property |
| Tfus | 631.65 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.94; 823.94] | J/mol×K | [868.87; 1089.82] |
|
| Cp,gas | 762.94 | J/mol×K | 868.87 | Joback Calculated Property |
| Cp,gas | 776.23 | J/mol×K | 905.69 | Joback Calculated Property |
| Cp,gas | 788.27 | J/mol×K | 942.52 | Joback Calculated Property |
| Cp,gas | 799.07 | J/mol×K | 979.34 | Joback Calculated Property |
| Cp,gas | 808.62 | J/mol×K | 1016.17 | Joback Calculated Property |
| Cp,gas | 816.91 | J/mol×K | 1052.99 | Joback Calculated Property |
| Cp,gas | 823.94 | J/mol×K | 1089.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester.
Sources
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