- InChI
- InChI=1S/C17H17NO3/c1-3-6-12-9-10-15(16(11-12)20-2)21-17(19)13-7-4-5-8-14(13)18/h3-5,7-11H,1,6,18H2,2H3
- InChI Key
- KFYPXGAXXLQPBI-UHFFFAOYSA-N
- Formula
- C17H17NO3
- SMILES
-
C=CCc1ccc(OC(=O)c2ccccc2N)c(OC
)c1 - Molecular Weight1
- 283.32
- CAS
- 861571-50-8
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7909 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.225 | Crippen Calculated Property | |
| McVol | 221.860 | ml/mol | McGowan Calculated Property |
| Pc | 2256.81 | kPa | Joback Calculated Property |
| Inp | [2437.80; 2437.80] |
|
|
| Inp | 2437.80 | NIST | |
| Inp | 2437.80 | NIST | |
| Tboil | 674.06 | K | Relay (1.0) Calculated Property |
| Tc | 922.85 | K | Relay (1.0) Calculated Property |
| Tfus | 338.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.70; 696.28] | J/mol×K | [824.58; 1061.77] |
|
| Cp,gas | 632.70 | J/mol×K | 824.58 | Joback Calculated Property |
| Cp,gas | 646.23 | J/mol×K | 864.11 | Joback Calculated Property |
| Cp,gas | 658.55 | J/mol×K | 903.64 | Joback Calculated Property |
| Cp,gas | 669.69 | J/mol×K | 943.18 | Joback Calculated Property |
| Cp,gas | 679.67 | J/mol×K | 982.71 | Joback Calculated Property |
| Cp,gas | 688.53 | J/mol×K | 1022.24 | Joback Calculated Property |
| Cp,gas | 696.28 | J/mol×K | 1061.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eugenyl anthranilate.
Sources
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