- InChI
- InChI=1S/C13H16O2/c1-9-5-4-6-12-11(9)7-8-13(12,3)15-10(2)14/h4-6H,7-8H2,1-3H3
- InChI Key
- PWWBXOPVNRIYAW-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- CC(=O)OC1(C)CCc2c(C)cccc21
- Molecular Weight1
- 204.26
- CAS
- 55669-90-4
- 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 | 0.5134 | Relay (... Calculated Property | |
| ΔfG° | -26.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.04 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -3.18 | Relay (... Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Inp | [1658.00; 1658.00] |
|
|
| Inp | 1658.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Tboil | 534.34 | K | Relay (... Calculated Property |
| Tc | 771.67 | K | Relay (... Calculated Property |
| Tfus | 300.47 | K | Relay (... Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.61; 508.55] | J/mol×K | [616.75; 844.23] |
|
| Cp,gas | 425.61 | J/mol×K | 616.75 | Joback Calculated Property |
| Cp,gas | 441.20 | J/mol×K | 654.66 | Joback Calculated Property |
| Cp,gas | 455.89 | J/mol×K | 692.58 | Joback Calculated Property |
| Cp,gas | 469.82 | J/mol×K | 730.49 | Joback Calculated Property |
| Cp,gas | 483.14 | J/mol×K | 768.40 | Joback Calculated Property |
| Cp,gas | 496.00 | J/mol×K | 806.32 | Joback Calculated Property |
| Cp,gas | 508.55 | J/mol×K | 844.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dimethylindanyl acetate.
Sources
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