- InChI
- InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)
- InChI Key
- PLQMEXSCSAIXGB-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
-
C=C(C(=O)O)C1CCC(C)C2CCC(C)=CC
12 - Molecular Weight1
- 234.33
- CAS
- 80286-58-4
- Other Names
-
- 1-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-«alpha»-methylene-, (1R,4R,4aS,8aR)-
- 2-(4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphtalen-1-yl)prop-2-enoic acid
- 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 | 0.6212 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [1825.00; 1825.00] |
|
|
| Inp | 1825.00 | NIST | |
| Inp | 1825.00 | NIST | |
| Tboil | 589.01 | K | Relay (1.0) Calculated Property |
| Tc | 824.76 | K | Relay (1.0) Calculated Property |
| Tfus | 411.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.72; 691.75] | J/mol×K | [710.57; 918.54] |
|
| Cp,gas | 601.72 | J/mol×K | 710.57 | Joback Calculated Property |
| Cp,gas | 619.40 | J/mol×K | 745.23 | Joback Calculated Property |
| Cp,gas | 635.94 | J/mol×K | 779.89 | Joback Calculated Property |
| Cp,gas | 651.40 | J/mol×K | 814.56 | Joback Calculated Property |
| Cp,gas | 665.82 | J/mol×K | 849.22 | Joback Calculated Property |
| Cp,gas | 679.25 | J/mol×K | 883.88 | Joback Calculated Property |
| Cp,gas | 691.75 | J/mol×K | 918.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Arteannuic acid.
Sources
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