- InChI
- InChI=1S/C8H14O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,1-4H3
- InChI Key
- VHRZZWMONXYKJP-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CC(C)(C#CC(C)(C)OO)OO
- Molecular Weight1
- 174.19
- CAS
- 3491-36-9
- Other Names
-
- Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis-
- Hydroperoxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 | 0.6392 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4856.80 | kJ/mol | NIST |
| ΔfG° | -258.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -257.60 ± 2.80 | kJ/mol | NIST |
| ΔfusH° | 15.32 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 127.40 ± 1.80 | kJ/mol | NIST |
| ΔvapH° | 80.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.526 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Tboil | 473.71 | K | Relay (1.0) Calculated Property |
| Tc | 691.46 | K | Relay (1.0) Calculated Property |
| Tfus | 351.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.45; 410.94] | J/mol×K | [614.18; 802.51] | 
|
| Cp,gas | 359.45 | J/mol×K | 614.18 | Joback Calculated Property |
| Cp,gas | 369.31 | J/mol×K | 645.57 | Joback Calculated Property |
| Cp,gas | 378.64 | J/mol×K | 676.96 | Joback Calculated Property |
| Cp,gas | 387.44 | J/mol×K | 708.35 | Joback Calculated Property |
| Cp,gas | 395.74 | J/mol×K | 739.73 | Joback Calculated Property |
| Cp,gas | 403.57 | J/mol×K | 771.12 | Joback Calculated Property |
| Cp,gas | 410.94 | J/mol×K | 802.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne.
Sources
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