Chemical Properties of (1S,2R,4R,7R)-4-Isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.02,4]octane (CAS 1619-26-7)

InChI

InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3

InChI Key

LEZWCCRTFNBOBU-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(C)C12CCC3(C)OC3C1O2

Molecular Weight¹

168.23

CAS

1619-26-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.07	kJ/mol	Joback Calculated Property
logPoct/wat	1.731		Crippen Calculated Property
McVol	130.920	ml/mol	McGowan Calculated Property
Inp	[1302.00; 1309.90]
Inp	1309.90		NIST
Inp	1303.00		NIST
Inp	1308.00		NIST
Inp	1302.00		NIST
Inp	1306.00		NIST
Inp	1306.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[340.55; 426.18]	J/mol×K	[493.42; 711.67]
Cp,gas	340.55	J/mol×K	493.42	Joback Calculated Property
Cp,gas	358.15	J/mol×K	529.80	Joback Calculated Property
Cp,gas	374.04	J/mol×K	566.17	Joback Calculated Property
Cp,gas	388.50	J/mol×K	602.55	Joback Calculated Property
Cp,gas	401.82	J/mol×K	638.92	Joback Calculated Property
Cp,gas	414.29	J/mol×K	675.30	Joback Calculated Property
Cp,gas	426.18	J/mol×K	711.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,2R,4R,7R)-4-Isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.02,4]octane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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