- InChI
- InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
- InChI Key
- LSXWFXONGKSEMY-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CC(C)(C)OOC(C)(C)C
- Molecular Weight1
- 146.23
- CAS
- 110-05-4
- Other Names
-
- (tert-C4H9O)2
- Bis(1,1-dimethylethyl) peroxide
- Bis(tert-butyl) peroxide
- Cadox
- Cadox TBP
- DTBP
- Di-t-butyl peroxide
- Di-tert-butyl peroxyde
- Di-tert-butylperoxid
- Di-tertiary-butyl peroxide
- Interox DTB
- Kayabutyl D
- NSC 673
- Perbutyl D
- Perossido di butile terziario
- Peroxide, bis-tert-butyl-
- Peroxide, tert-butyl-
- Peroxyde de butyle tertiaire
- Trigonox B
- t-Butyl peroxide
- t-butyl peroxide bis(1,1-di-methylethyl)peroxide
- tert-Butyl peroxide
- Di-tert-butyl peroxide
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.4440 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-5339.80; -5326.00] | kJ/mol |
|
| ΔcH°liquid | -5339.80 ± 1.60 | kJ/mol | NIST |
| ΔcH°liquid | -5336.30 | kJ/mol | NIST |
| ΔcH°liquid | -5339.60 ± 0.80 | kJ/mol | NIST |
| ΔcH°liquid | -5334.60 | kJ/mol | NIST |
| ΔcH°liquid | -5326.00 | kJ/mol | NIST |
| ΔfG° | -187.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-343.00; -340.80] | kJ/mol |
|
| ΔfH°gas | -340.80 | kJ/mol | NIST |
| ΔfH°gas | -343.00 | kJ/mol | NIST |
| ΔfH°gas | -341.00 | kJ/mol | NIST |
| ΔfH°liquid | [-385.00; -380.80] | kJ/mol |
|
| ΔfH°liquid | -380.80 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -385.00 | kJ/mol | NIST |
| ΔfH°liquid | -381.00 | kJ/mol | NIST |
| ΔfusH° | 4.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.60; 42.00] | kJ/mol |
|
| ΔvapH° | 39.30 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| ΔvapH° | Outlier 36.60 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 41.00 | kJ/mol | NIST |
| ΔvapH° | 42.00 | kJ/mol | NIST |
| ΔvapH° | 40.00 | kJ/mol | NIST |
| ΔvapH° | 40.20 | kJ/mol | NIST |
| ΔvapH° | 40.00 | kJ/mol | NIST |
| ΔvapH° | 40.00 | kJ/mol | NIST |
| IE | [8.78; 8.78] | eV |
|
| IE | 8.78 | eV | NIST |
| IE | 8.78 | eV | NIST |
| log10WS | -2.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.532 | Crippen Calculated Property | |
| McVol | 135.320 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Tboil | 382.70 | K | NIST |
| Tc | 568.44 | K | Relay (1.0) Calculated Property |
| Tfus | 233.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.559 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [31.00; 37.00] | kJ/mol | [253.00; 333.00] |
|
| ΔvapH | 31.05 | kJ/mol | 253.00 | NIST |
| ΔvapH | 32.00 | kJ/mol | 278.50 | NIST |
| ΔvapH | 31.00 | kJ/mol | 328.50 | NIST |
| ΔvapH | 37.00 | kJ/mol | 333.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.08; 471.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.33000e+00 | |||
| Coefficient B | 8.89120e-01 | |||
| Coefficient C | -5.33000e-04 | |||
| Coefficient D | 1.18200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 250.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 293.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 330.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 363.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 391.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 416.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 456.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 471.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0066328; 0.0002080] | Pa×s | [233.15; 424.86] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.26888e+01 | |||
| Coefficient B | 1.78898e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 233.15 | |||
| Temperature range, max. | 424.86 | |||
| η | 0.0066328 | Pa×s | 233.15 | Calculated Property |
| η | 0.0034892 | Pa×s | 254.45 | Calculated Property |
| η | 0.0020270 | Pa×s | 275.75 | Calculated Property |
| η | 0.0012730 | Pa×s | 297.05 | Calculated Property |
| η | 0.0008508 | Pa×s | 318.35 | Calculated Property |
| η | 0.0005981 | Pa×s | 339.65 | Calculated Property |
| η | 0.0004383 | Pa×s | 360.96 | Calculated Property |
| η | 0.0003325 | Pa×s | 382.26 | Calculated Property |
| η | 0.0002597 | Pa×s | 403.56 | Calculated Property |
| η | 0.0002080 | Pa×s | 424.86 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [281.93; 547.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 9.64980e+00 | |||
| Coefficient B | -2.14376e+03 | |||
| Coefficient C | -5.29490e+01 | |||
| Temperature range, min. | 281.93 | |||
| Temperature range, max. | 547.09 | |||
| Pvap | 1.33 | kPa | 281.93 | Calculated Property |
| Pvap | 3.88 | kPa | 311.39 | Calculated Property |
| Pvap | 9.06 | kPa | 340.85 | Calculated Property |
| Pvap | 18.08 | kPa | 370.32 | Calculated Property |
| Pvap | 32.10 | kPa | 399.78 | Calculated Property |
| Pvap | 52.08 | kPa | 429.24 | Calculated Property |
| Pvap | 78.76 | kPa | 458.70 | Calculated Property |
| Pvap | 112.62 | kPa | 488.17 | Calculated Property |
| Pvap | 153.91 | kPa | 517.63 | Calculated Property |
| Pvap | 202.64 | kPa | 547.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Peroxide, bis(1,1-dimethylethyl).
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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