Chemical Properties of «delta»-Selinene (CAS 28624-23-9)

InChI

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3

InChI Key

VEGYMPQCXPVQJY-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=C2C=C(C(C)C)CCC2(C)CCC1

Molecular Weight¹

204.35

CAS

28624-23-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	179.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-120.52	kJ/mol	Joback Calculated Property
ΔfusH°	12.86	kJ/mol	Joback Calculated Property
ΔvapH°	50.84	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2094.58	kPa	Joback Calculated Property
Inp	[1475.00; 1520.00]
Inp	1496.00		NIST
Inp	1478.00		NIST
Inp	1485.00		NIST
Inp	1509.00		NIST
Inp	1493.00		NIST
Inp	Outlier 1475.00		NIST
Inp	1509.00		NIST
Inp	1491.00		NIST
Inp	1501.00		NIST
Inp	1493.00		NIST
Inp	1500.00		NIST
Inp	1485.00		NIST
Inp	1493.00		NIST
Inp	1497.00		NIST
Inp	1489.00		NIST
Inp	1494.00		NIST
Inp	1493.00		NIST
Inp	1497.00		NIST
Inp	1496.00		NIST
Inp	1479.00		NIST
Inp	1483.00		NIST
Inp	1497.00		NIST
Inp	1497.00		NIST
Inp	1505.00		NIST
Inp	Outlier 1514.00		NIST
Inp	1506.00		NIST
Inp	1489.00		NIST
Inp	1492.00		NIST
Inp	1493.00		NIST
Inp	1503.00		NIST
Inp	1504.00		NIST
Inp	1506.00		NIST
Inp	1492.00		NIST
Inp	1482.00		NIST
Inp	1492.00		NIST
Inp	1483.00		NIST
Inp	1493.00		NIST
Inp	1487.00		NIST
Inp	1492.00		NIST
Inp	Outlier 1520.00		NIST
Inp	1493.00		NIST
Inp	1493.00		NIST
Inp	1505.00		NIST
Inp	1484.00		NIST
Inp	1505.00		NIST
Inp	1501.00		NIST
Inp	1489.00		NIST
Inp	1506.00		NIST
Inp	1493.00		NIST
I	[1707.00; 1756.00]
I	1728.00		NIST
I	1756.00		NIST
I	1756.00		NIST
I	1755.00		NIST
I	1728.00		NIST
I	1707.00		NIST
Tboil	590.89	K	Joback Calculated Property
Tc	815.98	K	Joback Calculated Property
Tfus	332.83	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.51; 612.42]	J/mol×K	[590.89; 815.98]
Cp,gas	500.51	J/mol×K	590.89	Joback Calculated Property
Cp,gas	521.85	J/mol×K	628.41	Joback Calculated Property
Cp,gas	541.90	J/mol×K	665.92	Joback Calculated Property
Cp,gas	560.83	J/mol×K	703.44	Joback Calculated Property
Cp,gas	578.78	J/mol×K	740.95	Joback Calculated Property
Cp,gas	595.93	J/mol×K	778.47	Joback Calculated Property
Cp,gas	612.42	J/mol×K	815.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to «delta»-Selinene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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