Chemical Properties of 2,5-Dimethyl-2-hydroperoxide-5-tert-butylperoxyhexane (CAS 23661-84-9)

2,5-Dimethyl-2-hydroperoxide-5-tert-butylperoxyhexane

InChI
InChI=1S/C12H26O4/c1-10(2,3)15-16-12(6,7)9-8-11(4,5)14-13/h13H,8-9H2,1-7H3
InChI Key
LMYXBQKXPSZHAH-UHFFFAOYSA-N
Formula
C12H26O4
SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OO
Molecular Weight1
234.33
CAS
23661-84-9
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔcH°liquid -7801.90 ± 3.30 kJ/mol NIST
ΔfH°gas -561.80 ± 3.30 kJ/mol NIST
ΔfH°liquid -636.00 ± 3.30 kJ/mol NIST
ΔfusH° 12.25 kJ/mol Joback Calculated Property
ΔvapH° 74.20 ± 0.20 kJ/mol NIST
IE 8.91 eV Relay (1.0) Calculated Property
logPoct/wat 3.560 Crippen Calculated Property
McVol 203.420 ml/mol McGowan Calculated Property
Tboil 507.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [571.46; 654.21] J/mol×K [623.71; 803.50] Show Hide
Cp,gas 571.46 J/mol×K 623.71 Joback Calculated Property
Cp,gas 587.23 J/mol×K 653.67 Joback Calculated Property
Cp,gas 602.17 J/mol×K 683.64 Joback Calculated Property
Cp,gas 616.30 J/mol×K 713.60 Joback Calculated Property
Cp,gas 629.67 J/mol×K 743.57 Joback Calculated Property
Cp,gas 642.29 J/mol×K 773.53 Joback Calculated Property
Cp,gas 654.21 J/mol×K 803.50 Joback Calculated Property
η [0.0000235; 0.0034716] Pa×s [359.77; 623.71] Show Hide
η 0.0034716 Pa×s 359.77 Joback Calculated Property
η 0.0009591 Pa×s 403.76 Joback Calculated Property
η 0.0003412 Pa×s 447.75 Joback Calculated Property
η 0.0001460 Pa×s 491.74 Joback Calculated Property
η 0.0000718 Pa×s 535.73 Joback Calculated Property
η 0.0000394 Pa×s 579.72 Joback Calculated Property
η 0.0000235 Pa×s 623.71 Joback Calculated Property

Similar Compounds

2,5-Dimethylhexane-2,5-dihydroperoxide. 2,5-Dimethyl-2-oxy-5-tert-butylperoxyhexane. (+)-Muurolan-4,7-peroxide. 2,5-Hexanediol, 2,5-dimethyl-. (CH3)2C(C2H5)OOC(CH3)2C2H5. Decalinhydroperoxide. Furan, tetrahydro-2,2,5,5-tetramethyl-. (+)-Plagio-4,7-peroxide. 2-Hexanol, 2-methyl-. Hydroperoxide, 1-methylhexyl. (+)-(1R,4R,6R,7R,10S)-Muurolan-4,7-peroxide. Hydroperoxide, 1-methylpentyl. 2-Hydroperoxy-n-hexane. 2-Hexanol, 2,5-dimethyl-, (S)-. 7,8-Dioxabicyclo[4.2.2]decane.

Find more compounds similar to 2,5-Dimethyl-2-hydroperoxide-5-tert-butylperoxyhexane.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.