- InChI
- InChI=1S/C13H16O5/c1-5-6-8-9(14-2)11(16-4)13-12(10(8)15-3)17-7-18-13/h5H,1,6-7H2,2-4H3
- InChI Key
- IWGPXDGGZYMDJF-UHFFFAOYSA-N
- Formula
- C13H16O5
- SMILES
- C=CCc1c(OC)c(OC)c2c(c1OC)OCO2
- Molecular Weight1
- 252.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -208.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.170 | Crippen Calculated Property | |
| McVol | 184.460 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Inp | 1759.00 | NIST | |
| Tboil | 677.67 | K | Joback Calculated Property |
| Tc | 887.81 | K | Joback Calculated Property |
| Tfus | 465.54 | K | Joback Calculated Property |
| Vc | 0.691 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.95; 567.79] | J/mol×K | [677.67; 887.81] | 
|
| Cp,gas | 495.95 | J/mol×K | 677.67 | Joback Calculated Property |
| Cp,gas | 509.76 | J/mol×K | 712.69 | Joback Calculated Property |
| Cp,gas | 522.84 | J/mol×K | 747.72 | Joback Calculated Property |
| Cp,gas | 535.18 | J/mol×K | 782.74 | Joback Calculated Property |
| Cp,gas | 546.78 | J/mol×K | 817.76 | Joback Calculated Property |
| Cp,gas | 557.65 | J/mol×K | 852.79 | Joback Calculated Property |
| Cp,gas | 567.79 | J/mol×K | 887.81 | Joback Calculated Property |
| η | [0.0001946; 0.0006519] | Pa×s | [465.54; 677.67] |
|
| η | 0.0006519 | Pa×s | 465.54 | Joback Calculated Property |
| η | 0.0004963 | Pa×s | 500.89 | Joback Calculated Property |
| η | 0.0003917 | Pa×s | 536.25 | Joback Calculated Property |
| η | 0.0003183 | Pa×s | 571.61 | Joback Calculated Property |
| η | 0.0002650 | Pa×s | 606.96 | Joback Calculated Property |
| η | 0.0002252 | Pa×s | 642.32 | Joback Calculated Property |
| η | 0.0001946 | Pa×s | 677.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to nothoapiole.
Sources
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