- InChI
- InChI=1S/C9H7F10NO3/c10-6(11,8(14,15)16)4(21)20-2-1-3-23-5(22)7(12,13)9(17,18)19/h1-3H2,(H,20,21)
- InChI Key
- MZRZYRSHHYXUFP-UHFFFAOYSA-N
- Formula
- C9H7F10NO3
- SMILES
-
O=C(NCCCOC(=O)C(F)(F)C(F)(F)F)
C(F)(F)C(F)(F)F - Molecular Weight1
- 367.14
- 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° | -2185.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2529.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 2.431 | Crippen Calculated Property | |
| McVol | 174.360 | ml/mol | McGowan Calculated Property |
| Pc | 1835.69 | kPa | Joback Calculated Property |
| Inp | 1066.00 | NIST | |
| Tboil | 565.43 | K | Joback Calculated Property |
| Tc | 716.32 | K | Joback Calculated Property |
| Tfus | 381.52 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.28; 540.14] | J/mol×K | [565.43; 716.32] | 
|
| Cp,gas | 488.28 | J/mol×K | 565.43 | Joback Calculated Property |
| Cp,gas | 498.54 | J/mol×K | 590.58 | Joback Calculated Property |
| Cp,gas | 508.10 | J/mol×K | 615.73 | Joback Calculated Property |
| Cp,gas | 517.01 | J/mol×K | 640.88 | Joback Calculated Property |
| Cp,gas | 525.29 | J/mol×K | 666.03 | Joback Calculated Property |
| Cp,gas | 532.99 | J/mol×K | 691.17 | Joback Calculated Property |
| Cp,gas | 540.14 | J/mol×K | 716.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Amino-1-propanol, N,O-di(pentafluoropropionyl)-.
Sources
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