- InChI
- InChI=1S/C17H19FO5/c1-4-6-13(5-2)22-16(19)9-10-17(20)23-14-8-7-12(18)11-15(14)21-3/h7-8,11,13H,5,9-10H2,1-3H3
- InChI Key
- QDNMRAIIJURBJL-UHFFFAOYSA-N
- Formula
- C17H19FO5
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(F
)cc1OC - Molecular Weight1
- 322.33
- 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° | -381.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 240.550 | ml/mol | McGowan Calculated Property |
| Pc | 1809.23 | kPa | Joback Calculated Property |
| Inp | [2202.00; 2202.00] |
|
|
| Inp | 2202.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Tboil | 807.83 | K | Joback Calculated Property |
| Tc | 1020.23 | K | Joback Calculated Property |
| Tfus | 591.05 | K | Joback Calculated Property |
| Vc | 0.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.64; 756.43] | J/mol×K | [807.83; 1020.23] |
|
| Cp,gas | 689.64 | J/mol×K | 807.83 | Joback Calculated Property |
| Cp,gas | 703.53 | J/mol×K | 843.23 | Joback Calculated Property |
| Cp,gas | 716.32 | J/mol×K | 878.63 | Joback Calculated Property |
| Cp,gas | 728.02 | J/mol×K | 914.03 | Joback Calculated Property |
| Cp,gas | 738.61 | J/mol×K | 949.43 | Joback Calculated Property |
| Cp,gas | 748.08 | J/mol×K | 984.83 | Joback Calculated Property |
| Cp,gas | 756.43 | J/mol×K | 1020.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 4-fluoro-2-methoxyphenyl ester.
Sources
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