- InChI
- InChI=1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+
- InChI Key
- BBQDLDVSEDAYAA-AATRIKPKSA-N
- Formula
- C9H7NO4
- SMILES
- O=C(O)C=Cc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 193.16
- CAS
- 612-41-9
- Other Names
-
- 2-Nitrocinnamic acid
- o-Nitrocinnamic acid
- 2-Propenoic acid, 3-(2-nitrophenyl)-
- Cinnamic acid, o-nitro-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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 | 0.7541 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-4179.93; -4162.00] | kJ/mol |
|
| ΔcH°solid | -4162.00 | kJ/mol | NIST |
| ΔcH°solid | -4179.93 | kJ/mol | NIST |
| ΔfG° | -22.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -379.90 | kJ/mol | NIST |
| ΔfusH° | 29.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.693 | Crippen Calculated Property | |
| McVol | 134.470 | ml/mol | McGowan Calculated Property |
| Pc | 4178.49 | kPa | Joback Calculated Property |
| Tboil | 576.80 | K | Relay (1.0) Calculated Property |
| Tc | 837.46 | K | Relay (1.0) Calculated Property |
| Tfus | 400.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.68; 381.80] | J/mol×K | [739.03; 973.12] |
|
| Cp,gas | 340.68 | J/mol×K | 739.03 | Joback Calculated Property |
| Cp,gas | 349.01 | J/mol×K | 778.04 | Joback Calculated Property |
| Cp,gas | 356.67 | J/mol×K | 817.06 | Joback Calculated Property |
| Cp,gas | 363.73 | J/mol×K | 856.07 | Joback Calculated Property |
| Cp,gas | 370.23 | J/mol×K | 895.09 | Joback Calculated Property |
| Cp,gas | 376.23 | J/mol×K | 934.10 | Joback Calculated Property |
| Cp,gas | 381.80 | J/mol×K | 973.12 | Joback Calculated Property |
| Cp,solid | 240.60 | J/mol×K | 323.00 | NIST |
Similar Compounds
Find more compounds similar to trans-2-Nitrocinnamic acid.
Sources
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