- InChI
- InChI=1S/C18H14N2/c19-12-14-10-11-18(13-20,15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-9,14H,10-11H2
- InChI Key
- VPBGDRICPKPSNM-UHFFFAOYSA-N
- Formula
- C18H14N2
- SMILES
-
N#CC1CCC(C#N)(c2ccccc2)c2ccccc
21 - Molecular Weight1
- 258.32
- CAS
- 25679-87-2
- Other Names
-
- 1-Phenyl-1,2,3,4-tetrahydro-1,4-naphthalenedicarbonitrile
- 1,4-Naphthalenedinitrile, 1,2,3,4-tetrahydro-4-phenyl-
- 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 | 0.5217 | Relay (1.0) Calculated Property | |
| ΔfG° | 617.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 450.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.897 | Crippen Calculated Property | |
| McVol | 208.860 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Tboil | 649.40 | K | Relay (1.0) Calculated Property |
| Tc | 968.29 | K | Relay (1.0) Calculated Property |
| Tfus | 421.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.08; 716.24] | J/mol×K | [880.32; 1152.53] | 
|
| Cp,gas | 614.08 | J/mol×K | 880.32 | Joback Calculated Property |
| Cp,gas | 630.03 | J/mol×K | 925.69 | Joback Calculated Property |
| Cp,gas | 646.00 | J/mol×K | 971.06 | Joback Calculated Property |
| Cp,gas | 662.30 | J/mol×K | 1016.43 | Joback Calculated Property |
| Cp,gas | 679.23 | J/mol×K | 1061.79 | Joback Calculated Property |
| Cp,gas | 697.11 | J/mol×K | 1107.16 | Joback Calculated Property |
| Cp,gas | 716.24 | J/mol×K | 1152.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-1,4-dicyano-1,2,3,4-tetrahydronaphthalene.
Sources
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