- InChI
- InChI=1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3/b3-2+
- InChI Key
- CNBCNHHPIBKYBO-NSCUHMNNSA-N
- Formula
- C10H9NO
- SMILES
- COc1ccc(C=CC#N)cc1
- Molecular Weight1
- 159.18
- CAS
- 28446-68-6
- Other Names
-
- 4-Methoxycinnamonitrile cis + trans
- 2-Propenenitrile, 3-(4-methoxyphenyl)-
- Cinnamonitrile, p-methoxy-
- p-Methoxycinnamonitrile
- cis,trans-4-methoxycinnamonitrile
- 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).
- 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 | 0.4855 | Relay (... Calculated Property | |
| ΔfG° | 244.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 128.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.25 | eV | Relay (... Calculated Property |
| log10WS | -2.89 | Relay (... Calculated Property | |
| logPoct/wat | 2.232 | Crippen Calculated Property | |
| McVol | 130.950 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Tboil | 566.89 | K | Relay (... Calculated Property |
| Tc | 768.24 | K | Relay (... Calculated Property |
| Tfus | 329.67 | K | Relay (... Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.31; 347.93] | J/mol×K | [588.52; 820.00] | 
|
| Cp,gas | 290.31 | J/mol×K | 588.52 | Joback Calculated Property |
| Cp,gas | 301.65 | J/mol×K | 627.10 | Joback Calculated Property |
| Cp,gas | 312.25 | J/mol×K | 665.68 | Joback Calculated Property |
| Cp,gas | 322.15 | J/mol×K | 704.26 | Joback Calculated Property |
| Cp,gas | 331.37 | J/mol×K | 742.84 | Joback Calculated Property |
| Cp,gas | 339.95 | J/mol×K | 781.42 | Joback Calculated Property |
| Cp,gas | 347.93 | J/mol×K | 820.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxycinnamonitrile,c&t.
Sources
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