- InChI
- InChI=1S/C18H15NO2/c1-2-13-3-6-15(7-4-13)16(11-19)9-14-5-8-17-18(10-14)21-12-20-17/h3-10H,2,12H2,1H3/b16-9+
- InChI Key
- ZWTMYUSNQWFHAV-CXUHLZMHSA-N
- Formula
- C19H17NO2
- SMILES
-
CCc1ccc(C(C#N)=Cc2ccc3c(c2)OCO
3)cc1 - Molecular Weight1
- 291.34
- CAS
- 53407-80-0
- 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 | 0.6835 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -9933.78 | kJ/mol | NIST |
| ΔfG° | 397.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 38.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 27.50 | kJ/mol | NIST |
| ΔfusH° | 42.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.042 | Crippen Calculated Property | |
| McVol | 214.920 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Tboil | 673.91 | K | Relay (1.0) Calculated Property |
| Tc | 959.10 | K | Relay (1.0) Calculated Property |
| Tfus | 371.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.793 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.77; 686.12] | J/mol×K | [850.97; 1105.44] | 
|
| Cp,gas | 616.77 | J/mol×K | 850.97 | Joback Calculated Property |
| Cp,gas | 629.88 | J/mol×K | 893.38 | Joback Calculated Property |
| Cp,gas | 642.17 | J/mol×K | 935.79 | Joback Calculated Property |
| Cp,gas | 653.78 | J/mol×K | 978.20 | Joback Calculated Property |
| Cp,gas | 664.88 | J/mol×K | 1020.61 | Joback Calculated Property |
| Cp,gas | 675.61 | J/mol×K | 1063.03 | Joback Calculated Property |
| Cp,gas | 686.12 | J/mol×K | 1105.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dioxymethylene-p-isopropylphenylacetonitrile.
Sources
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