Chemical Properties of (Z)-Myroxide (CAS 94607-48-4)

InChI

InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+

InChI Key

LIMXJCIGROLRED-SOFGYWHQSA-N

Formula

C10H16O

SMILES

C=CC(C)=CCC1OC1(C)C

Molecular Weight¹

152.23

CAS

94607-48-4

Other Names

• (Z)-Miroxide
• cis-Myroxide

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.16	kJ/mol	Joback Calculated Property
logPoct/wat	2.686		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Inp	[1114.00; 1137.00]
Inp	1131.00		NIST
Inp	1137.00		NIST
Inp	1127.00		NIST
Inp	1132.00		NIST
Inp	1137.00		NIST
Inp	1134.00		NIST
Inp	1125.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1137.00		NIST
Inp	1131.00		NIST
I	[1493.00; 1550.00]
I	1550.00		NIST
I	1493.00		NIST
I	1493.00		NIST
I	1550.00		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	[302.19; 383.32]	J/mol×K	[458.18; 657.47]
Cp,gas	302.19	J/mol×K	458.18	Joback Calculated Property
Cp,gas	318.21	J/mol×K	491.40	Joback Calculated Property
Cp,gas	333.07	J/mol×K	524.61	Joback Calculated Property
Cp,gas	346.90	J/mol×K	557.83	Joback Calculated Property
Cp,gas	359.80	J/mol×K	591.04	Joback Calculated Property
Cp,gas	371.90	J/mol×K	624.26	Joback Calculated Property
Cp,gas	383.32	J/mol×K	657.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Myroxide.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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