Chemical Properties of Caparratriene

InChI

InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6+

InChI Key

GIBJEWOSWWYJSK-CKGOAGCQSA-N

Formula

C15H26

SMILES

CC=C(C)C=CCC(C)CCC=C(C)C

Molecular Weight¹

206.37

Other Names

• Capparatriene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4288		Relay (1.0) Calculated Property
ΔfG°	296.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-138.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.07	kJ/mol	Joback Calculated Property
ΔvapH°	65.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.66	eV	Relay (1.0) Calculated Property
log10WS	-6.03		Relay (1.0) Calculated Property
logPoct/wat	5.281		Crippen Calculated Property
McVol	209.310	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
Inp	1493.00		NIST
I	[1692.00; 1692.00]
I	1692.00		NIST
I	1692.00		NIST
Tboil	519.19	K	Relay (1.0) Calculated Property
Tc	681.58	K	Relay (1.0) Calculated Property
Tfus	229.99	K	Relay (1.0) Calculated Property
Vc	0.730	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.36; 603.48]	J/mol×K	[554.40; 742.01]
Cp,gas	504.36	J/mol×K	554.40	Joback Calculated Property
Cp,gas	523.14	J/mol×K	585.67	Joback Calculated Property
Cp,gas	540.94	J/mol×K	616.94	Joback Calculated Property
Cp,gas	557.82	J/mol×K	648.20	Joback Calculated Property
Cp,gas	573.83	J/mol×K	679.47	Joback Calculated Property
Cp,gas	589.03	J/mol×K	710.74	Joback Calculated Property
Cp,gas	603.48	J/mol×K	742.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Caparratriene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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