- InChI
- InChI=1S/C15H22O3/c1-6-14(4)10-8-12(17-14)15(5)11(16)7-9-13(2,3)18-15/h6-7,9,12H,1,8,10H2,2-5H3
- InChI Key
- YDGSUVJUYWCJCE-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
-
C=CC1(C)CCC(C2(C)OC(C)(C)C=CC2
=O)O1 - Molecular Weight1
- 250.33
- CAS
- 115403-96-8
- Other Names
-
- Artedouglosia oxide A
- A-Artedouglasia oxide
- 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 | 0.4098 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.803 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Inp | [1497.00; 1542.50] |
|
|
| Inp | 1533.00 | NIST | |
| Inp | 1541.70 | NIST | |
| Inp | 1542.50 | NIST | |
| Inp | 1511.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Inp | Outlier 1497.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Tboil | 534.88 | K | Relay (1.0) Calculated Property |
| Tc | 769.37 | K | Relay (1.0) Calculated Property |
| Tfus | 305.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.770 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.71; 738.19] | J/mol×K | [686.37; 938.78] |
|
| Cp,gas | 605.71 | J/mol×K | 686.37 | Joback Calculated Property |
| Cp,gas | 627.81 | J/mol×K | 728.44 | Joback Calculated Property |
| Cp,gas | 649.33 | J/mol×K | 770.51 | Joback Calculated Property |
| Cp,gas | 670.71 | J/mol×K | 812.57 | Joback Calculated Property |
| Cp,gas | 692.36 | J/mol×K | 854.64 | Joback Calculated Property |
| Cp,gas | 714.72 | J/mol×K | 896.71 | Joback Calculated Property |
| Cp,gas | 738.19 | J/mol×K | 938.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Artedouglasia oxide A.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.