- InChI
- InChI=1S/C18H21FO5/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
- SHJPKZXVFJVLKY-UHFFFAOYSA-N
- Formula
- C18H21FO5
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1ccc(
F)cc1OC - Molecular Weight1
- 336.35
- 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° | -373.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 3.255 | Crippen Calculated Property | |
| McVol | 254.640 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [2267.00; 2267.00] |
|
|
| Inp | 2267.00 | NIST | |
| Inp | 2267.00 | NIST | |
| Tboil | 830.71 | K | Joback Calculated Property |
| Tc | 1041.73 | K | Joback Calculated Property |
| Tfus | 602.32 | K | Joback Calculated Property |
| Vc | 0.976 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.03; 813.42] | J/mol×K | [830.71; 1041.73] |
|
| Cp,gas | 746.03 | J/mol×K | 830.71 | Joback Calculated Property |
| Cp,gas | 760.13 | J/mol×K | 865.88 | Joback Calculated Property |
| Cp,gas | 773.09 | J/mol×K | 901.05 | Joback Calculated Property |
| Cp,gas | 784.90 | J/mol×K | 936.22 | Joback Calculated Property |
| Cp,gas | 795.56 | J/mol×K | 971.39 | Joback Calculated Property |
| Cp,gas | 805.07 | J/mol×K | 1006.56 | Joback Calculated Property |
| Cp,gas | 813.42 | J/mol×K | 1041.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 4-fluoro-2-methoxyphenyl ester.
Sources
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