- InChI
- InChI=1S/C7H10O2/c1-4-5-6-7(2,3)9-8/h4,8H,1H2,2-3H3
- InChI Key
- YJJTXEIQRNJFQV-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- C=CC#CC(C)(C)OO
- Molecular Weight1
- 126.15
- CAS
- 14906-26-4
- ω : Acentric Factor.
- 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).
- 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 | 0.4201 | Relay (... Calculated Property | |
| ΔcH°liquid | -4247.40 ± 1.80 | kJ/mol | NIST |
| ΔfG° | 59.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 127.10 ± 1.90 | kJ/mol | NIST |
| ΔfH°liquid | 63.60 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 13.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [63.50; 63.50] | kJ/mol |
|
| ΔvapH° | 63.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 63.50 | kJ/mol | NIST |
| IE | 9.23 | eV | Relay (... Calculated Property |
| log10WS | -0.79 | Relay (... Calculated Property | |
| logPoct/wat | 1.444 | Crippen Calculated Property | |
| McVol | 108.330 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 419.25 | K | Relay (... Calculated Property |
| Tc | 617.39 | K | Relay (... Calculated Property |
| Tfus | 287.23 | K | Relay (... Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.54; 275.56] | J/mol×K | [476.61; 672.33] |
|
| Cp,gas | 225.54 | J/mol×K | 476.61 | Joback Calculated Property |
| Cp,gas | 235.05 | J/mol×K | 509.23 | Joback Calculated Property |
| Cp,gas | 244.07 | J/mol×K | 541.85 | Joback Calculated Property |
| Cp,gas | 252.61 | J/mol×K | 574.47 | Joback Calculated Property |
| Cp,gas | 260.69 | J/mol×K | 607.09 | Joback Calculated Property |
| Cp,gas | 268.33 | J/mol×K | 639.71 | Joback Calculated Property |
| Cp,gas | 275.56 | J/mol×K | 672.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylvinylethynylhydroperoxide.
Sources
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