- InChI
- InChI=1S/C11H18O2/c1-7-8-9-11(5,6)13-12-10(2,3)4/h7H,1H2,2-6H3
- InChI Key
- NRZBWVAKKOCBFV-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- C=CC#CC(C)(C)OOC(C)(C)C
- Molecular Weight1
- 182.26
- CAS
- 14906-32-2
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6872.20 ± 3.50 | kJ/mol | NIST |
| ΔfG° | 128.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 22.70 ± 3.50 | kJ/mol | NIST |
| ΔfH°liquid | -28.90 ± 3.50 | kJ/mol | NIST |
| ΔfusH° | 13.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [51.60; 51.60] | kJ/mol |
|
| ΔvapH° | 51.60 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 51.60 | kJ/mol | NIST |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Tboil | 495.14 | K | Joback Calculated Property |
| Tc | 703.95 | K | Joback Calculated Property |
| Tfus | 367.37 | K | Joback Calculated Property |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.31; 458.22] | J/mol×K | [495.14; 703.95] |
|
| Cp,gas | 371.31 | J/mol×K | 495.14 | Joback Calculated Property |
| Cp,gas | 388.02 | J/mol×K | 529.94 | Joback Calculated Property |
| Cp,gas | 403.79 | J/mol×K | 564.74 | Joback Calculated Property |
| Cp,gas | 418.66 | J/mol×K | 599.55 | Joback Calculated Property |
| Cp,gas | 432.66 | J/mol×K | 634.35 | Joback Calculated Property |
| Cp,gas | 445.84 | J/mol×K | 669.15 | Joback Calculated Property |
| Cp,gas | 458.22 | J/mol×K | 703.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to t-Butyldimethylvinylethynylperoxide.
Sources
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