![9-tert-Butyl-1-oxaspiro[4.5]deca-6,9-dien-2,8-dione](/cid/23-218-4/9-tert-Butyl-1-oxaspiro-4-5-deca-6-9-dien-2-8-dione.png "9-tert-Butyl-1-oxaspiro[4.5]deca-6,9-dien-2,8-dione")
- InChI
- InChI=1S/C13H16O3/c1-12(2,3)9-8-13(6-4-10(9)14)7-5-11(15)16-13/h4,6,8H,5,7H2,1-3H3
- InChI Key
- IUQXVAIQPMFIGU-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
-
CC(C)(C)C1=CC2(C=CC1=O)CCC(=O)
O2 - Molecular Weight1
- 220.26
- 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 | 0.4315 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.174 | Crippen Calculated Property | |
| McVol | 172.720 | ml/mol | McGowan Calculated Property |
| Pc | 2796.51 | kPa | Joback Calculated Property |
| Inp | [1929.00; 1932.00] |
|
|
| Inp | 1932.00 | NIST | |
| Inp | 1929.00 | NIST | |
| Tboil | 568.65 | K | Relay (1.0) Calculated Property |
| Tc | 793.53 | K | Relay (1.0) Calculated Property |
| Tfus | 366.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.617 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.23; 597.15] | J/mol×K | [694.97; 959.23] |
|
| Cp,gas | 498.23 | J/mol×K | 694.97 | Joback Calculated Property |
| Cp,gas | 516.85 | J/mol×K | 739.01 | Joback Calculated Property |
| Cp,gas | 534.36 | J/mol×K | 783.06 | Joback Calculated Property |
| Cp,gas | 550.96 | J/mol×K | 827.10 | Joback Calculated Property |
| Cp,gas | 566.83 | J/mol×K | 871.14 | Joback Calculated Property |
| Cp,gas | 582.16 | J/mol×K | 915.18 | Joback Calculated Property |
| Cp,gas | 597.15 | J/mol×K | 959.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-tert-Butyl-1-oxaspiro[4.5]deca-6,9-dien-2,8-dione.
Sources
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