- InChI
- InChI=1S/C16H13NO/c1-18-16-9-7-13(8-10-16)11-15(12-17)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
- InChI Key
- VQADOVBGJXESGV-RVDMUPIBSA-N
- Formula
- C16H13NO
- SMILES
- COc1ccc(C=C(C#N)c2ccccc2)cc1
- Molecular Weight1
- 235.28
- CAS
- 5432-07-5
- Other Names
-
- 4-Methoxy-«alpha»-phenylcinnamonitrile
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.5792 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-8042.00; -8037.00] | kJ/mol |
|
| ΔcH°solid | -8042.00 | kJ/mol | NIST |
| ΔcH°solid | -8037.00 | kJ/mol | NIST |
| ΔfG° | 398.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 236.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-116.60; -116.00] | kJ/mol |
|
| ΔfH°solid | -116.00 | kJ/mol | NIST |
| ΔfH°solid | -116.60 | kJ/mol | NIST |
| ΔfusH° | 26.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.759 | Crippen Calculated Property | |
| McVol | 191.730 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| Tboil | 652.57 | K | Relay (1.0) Calculated Property |
| Tc | 900.41 | K | Relay (1.0) Calculated Property |
| Tfus | 363.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.22; 569.78] | J/mol×K | [752.36; 1004.70] |
|
| Cp,gas | 502.22 | J/mol×K | 752.36 | Joback Calculated Property |
| Cp,gas | 516.07 | J/mol×K | 794.42 | Joback Calculated Property |
| Cp,gas | 528.77 | J/mol×K | 836.47 | Joback Calculated Property |
| Cp,gas | 540.40 | J/mol×K | 878.53 | Joback Calculated Property |
| Cp,gas | 551.06 | J/mol×K | 920.59 | Joback Calculated Property |
| Cp,gas | 560.82 | J/mol×K | 962.64 | Joback Calculated Property |
| Cp,gas | 569.78 | J/mol×K | 1004.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-4-(2-cyano-2-phenylethenyl).
Sources
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