- InChI
- InChI=1S/C18H25F3O4/c1-11(18(19,20)21)25-16(23)6-4-5-15(22)24-10-12-7-8-13-9-14(12)17(13,2)3/h7,11,13-14H,4-6,8-10H2,1-3H3
- InChI Key
- KDPBABZVCVHWMJ-UHFFFAOYSA-N
- Formula
- C18H25F3O4
- SMILES
-
CC(OC(=O)CCCC(=O)OCC1=CCC2CC1C
2(C)C)C(F)(F)F - Molecular Weight1
- 362.38
- 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° | -834.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1326.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 4.186 | Crippen Calculated Property | |
| McVol | 258.650 | ml/mol | McGowan Calculated Property |
| Pc | 1430.46 | kPa | Joback Calculated Property |
| Inp | [1887.00; 1887.00] |
|
|
| Inp | 1887.00 | NIST | |
| Inp | 1887.00 | NIST | |
| Tboil | 775.42 | K | Joback Calculated Property |
| Tc | 968.61 | K | Joback Calculated Property |
| Tfus | 491.43 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.56; 912.66] | J/mol×K | [775.42; 968.61] |
|
| Cp,gas | 818.56 | J/mol×K | 775.42 | Joback Calculated Property |
| Cp,gas | 835.43 | J/mol×K | 807.62 | Joback Calculated Property |
| Cp,gas | 851.66 | J/mol×K | 839.82 | Joback Calculated Property |
| Cp,gas | 867.39 | J/mol×K | 872.01 | Joback Calculated Property |
| Cp,gas | 882.72 | J/mol×K | 904.21 | Joback Calculated Property |
| Cp,gas | 897.77 | J/mol×K | 936.41 | Joback Calculated Property |
| Cp,gas | 912.66 | J/mol×K | 968.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester.
Sources
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