- InChI
- InChI=1S/C18H21ClO4/c1-4-7-14(5-2)22-17(20)8-6-9-18(21)23-16-12-13(3)10-11-15(16)19/h10-12,14H,5-6,8-9H2,1-3H3
- InChI Key
- UQFQSCZAHCIIRW-UHFFFAOYSA-N
- Formula
- C18H21ClO4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cc(C
)ccc1Cl - Molecular Weight1
- 336.81
- 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° | -85.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.72 | kJ/mol | Joback Calculated Property |
| log10WS | -5.48 | Crippen Calculated Property | |
| logPoct/wat | 4.069 | Crippen Calculated Property | |
| McVol | 259.240 | ml/mol | McGowan Calculated Property |
| Pc | 1704.71 | kPa | Joback Calculated Property |
| Inp | [2386.00; 2386.00] |
|
|
| Inp | 2386.00 | NIST | |
| Inp | 2386.00 | NIST | |
| Tboil | 846.45 | K | Joback Calculated Property |
| Tc | 1068.37 | K | Joback Calculated Property |
| Tfus | 609.42 | K | Joback Calculated Property |
| Vc | 0.989 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.95; 802.15] | J/mol×K | [846.45; 1068.37] |
|
| Cp,gas | 735.95 | J/mol×K | 846.45 | Joback Calculated Property |
| Cp,gas | 749.83 | J/mol×K | 883.44 | Joback Calculated Property |
| Cp,gas | 762.56 | J/mol×K | 920.42 | Joback Calculated Property |
| Cp,gas | 774.15 | J/mol×K | 957.41 | Joback Calculated Property |
| Cp,gas | 784.60 | J/mol×K | 994.40 | Joback Calculated Property |
| Cp,gas | 793.93 | J/mol×K | 1031.38 | Joback Calculated Property |
| Cp,gas | 802.15 | J/mol×K | 1068.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-chloro-5-methylphenyl ester.
Sources
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