- InChI
- InChI=1S/C16H16O2/c1-2-18-15(17)16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h3-11,13-14H,2H2,1H3
- InChI Key
- SZHMIFJETAFZRP-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
-
CCOC(=O)C1(c2ccccc2)C2C=CC=CC2
1 - Molecular Weight1
- 240.30
- CAS
- 339-98-0
- 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 | 0.3992 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.860 | Crippen Calculated Property | |
| McVol | 189.660 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Tboil | 548.78 | K | Relay (1.0) Calculated Property |
| Tc | 822.35 | K | Relay (1.0) Calculated Property |
| Tfus | 348.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.658 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.59; 617.08] | J/mol×K | [680.09; 919.63] | 
|
| Cp,gas | 524.59 | J/mol×K | 680.09 | Joback Calculated Property |
| Cp,gas | 541.84 | J/mol×K | 720.01 | Joback Calculated Property |
| Cp,gas | 558.06 | J/mol×K | 759.94 | Joback Calculated Property |
| Cp,gas | 573.47 | J/mol×K | 799.86 | Joback Calculated Property |
| Cp,gas | 588.29 | J/mol×K | 839.79 | Joback Calculated Property |
| Cp,gas | 602.76 | J/mol×K | 879.71 | Joback Calculated Property |
| Cp,gas | 617.08 | J/mol×K | 919.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 7-phenylnoracadiene-7-carboxylate.
Sources
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