- InChI
- InChI=1S/C17H21F5O4/c1-4-5-6-24-7-9(2)25-8-10(3)26-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h9-10H,4-8H2,1-3H3
- InChI Key
- SJACYCMZHNAINQ-UHFFFAOYSA-N
- Formula
- C17H21F5O4
- SMILES
-
CCCCOCC(C)OCC(C)OC(=O)c1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 384.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8689 | Relay (1.0) Calculated Property | |
| ΔfG° | -1266.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1529.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.149 | Crippen Calculated Property | |
| McVol | 254.660 | ml/mol | McGowan Calculated Property |
| Pc | 1283.75 | kPa | Joback Calculated Property |
| Inp | [1789.00; 1789.00] |
|
|
| Inp | 1789.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Tboil | 575.78 | K | Relay (1.0) Calculated Property |
| Tc | 750.56 | K | Relay (1.0) Calculated Property |
| Tfus | 245.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [750.36; 823.99] | J/mol×K | [756.54; 934.13] |
|
| Cp,gas | 750.36 | J/mol×K | 756.54 | Joback Calculated Property |
| Cp,gas | 764.68 | J/mol×K | 786.14 | Joback Calculated Property |
| Cp,gas | 778.20 | J/mol×K | 815.74 | Joback Calculated Property |
| Cp,gas | 790.89 | J/mol×K | 845.34 | Joback Calculated Property |
| Cp,gas | 802.76 | J/mol×K | 874.94 | Joback Calculated Property |
| Cp,gas | 813.79 | J/mol×K | 904.53 | Joback Calculated Property |
| Cp,gas | 823.99 | J/mol×K | 934.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-((1-Butoxypropan-2-yl)oxy)propan-2-yl 2,3,4,5,6-pentafluorobenzoate.
Sources
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