- InChI
- InChI=1S/C11H12FNO5/c1-7(2)6-17-11(14)18-10-5-8(12)3-4-9(10)13(15)16/h3-5,7H,6H2,1-2H3
- InChI Key
- DVGUIWXNVXRKLD-UHFFFAOYSA-N
- Formula
- C11H12FNO5
- SMILES
-
CC(C)COC(=O)Oc1cc(F)ccc1[N+](=
O)[O-] - Molecular Weight1
- 257.22
- 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 | 0.7366 | Relay (1.0) Calculated Property | |
| ΔfG° | -365.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.905 | Crippen Calculated Property | |
| McVol | 174.590 | ml/mol | McGowan Calculated Property |
| Pc | 2579.34 | kPa | Joback Calculated Property |
| Inp | [1674.00; 1674.00] |
|
|
| Inp | 1674.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Tboil | 564.64 | K | Relay (1.0) Calculated Property |
| Tc | 782.06 | K | Relay (1.0) Calculated Property |
| Tfus | 306.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.45; 535.53] | J/mol×K | [737.10; 962.10] |
|
| Cp,gas | 477.45 | J/mol×K | 737.10 | Joback Calculated Property |
| Cp,gas | 489.41 | J/mol×K | 774.60 | Joback Calculated Property |
| Cp,gas | 500.46 | J/mol×K | 812.10 | Joback Calculated Property |
| Cp,gas | 510.60 | J/mol×K | 849.60 | Joback Calculated Property |
| Cp,gas | 519.82 | J/mol×K | 887.10 | Joback Calculated Property |
| Cp,gas | 528.13 | J/mol×K | 924.60 | Joback Calculated Property |
| Cp,gas | 535.53 | J/mol×K | 962.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, isobutyl 2-nitro-5-fluorophenyl ester.
Sources
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