Chemical Properties of Sativene (CAS 6813-05-4)

InChI

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3

InChI Key

VOBBUADSYROGAT-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1C2CCC3C2C(C(C)C)CCC13C

Molecular Weight¹

204.35

CAS

6813-05-4

Other Names

• (-)-sativene

• 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°	18.07	kJ/mol	Joback Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1387.00; 1425.00]
Inp	1421.00		NIST
Inp	1421.00		NIST
Inp	1391.00		NIST
Inp	1392.00		NIST
Inp	1402.00		NIST
Inp	1392.00		NIST
Inp	1390.00		NIST
Inp	1387.00		NIST
Inp	1396.00		NIST
Inp	1392.00		NIST
Inp	1405.00		NIST
Inp	1394.00		NIST
Inp	1394.00		NIST
Inp	1407.00		NIST
Inp	1404.00		NIST
Inp	1390.00		NIST
Inp	1397.00		NIST
Inp	1420.00		NIST
Inp	1425.00		NIST
Inp	1421.00		NIST
Inp	1391.00		NIST
Inp	1387.00		NIST
I	[1521.00; 1595.00]
I	1575.00		NIST
I	1576.00		NIST
I	1576.00		NIST
I	1595.00		NIST
I	1594.00		NIST
I	1526.00		NIST
I	1521.00		NIST
I	1525.00		NIST
I	1527.00		NIST
I	1523.00		NIST
I	1525.00		NIST
I	1535.00		NIST
I	1594.00		NIST
I	1526.00		NIST
I	1535.00		NIST
I	1523.00		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	[501.63; 619.46]	J/mol×K	[556.71; 769.30]
Cp,gas	501.63	J/mol×K	556.71	Joback Calculated Property
Cp,gas	524.39	J/mol×K	592.14	Joback Calculated Property
Cp,gas	545.67	J/mol×K	627.57	Joback Calculated Property
Cp,gas	565.65	J/mol×K	663.00	Joback Calculated Property
Cp,gas	584.49	J/mol×K	698.44	Joback Calculated Property
Cp,gas	602.37	J/mol×K	733.87	Joback Calculated Property
Cp,gas	619.46	J/mol×K	769.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sativene.

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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