- InChI
- InChI=1S/C16H16O3/c1-18-12-9-7-11(8-10-12)16(15(17)19-2)13-5-3-4-6-14(13)16/h3-10,13-14H,1-2H3
- InChI Key
- NGFBFVCPBCXHCJ-UHFFFAOYSA-N
- Formula
- C16H16O3
- SMILES
-
COC(=O)C1(c2ccc(OC)cc2)C2C=CC=
CC21 - Molecular Weight1
- 256.30
- CAS
- 32777-11-0
- 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 | 0.4924 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.478 | Crippen Calculated Property | |
| McVol | 195.530 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Tboil | 572.35 | K | Relay (1.0) Calculated Property |
| Tc | 847.83 | K | Relay (1.0) Calculated Property |
| Tfus | 369.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.45; 641.55] | J/mol×K | [707.49; 944.25] | 
|
| Cp,gas | 550.45 | J/mol×K | 707.49 | Joback Calculated Property |
| Cp,gas | 567.17 | J/mol×K | 746.95 | Joback Calculated Property |
| Cp,gas | 583.02 | J/mol×K | 786.41 | Joback Calculated Property |
| Cp,gas | 598.20 | J/mol×K | 825.87 | Joback Calculated Property |
| Cp,gas | 612.89 | J/mol×K | 865.33 | Joback Calculated Property |
| Cp,gas | 627.28 | J/mol×K | 904.79 | Joback Calculated Property |
| Cp,gas | 641.55 | J/mol×K | 944.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 7-(4-methoxyphenyl)noracadiene-7-carboxylate.
Sources
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