Chemical Properties of ent-selina-1,4-diene

InChI

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5,8,11,13H,6-7,9-10H2,1-4H3/t13-,15-/m0/s1

InChI Key

HHBPTXYTVCTYMU-ZFWWWQNUSA-N

Formula

C15H24

SMILES

CC1=C2CC(C(C)C)CCC2(C)C=CC1

Molecular Weight¹

204.35

• 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	0.2932		Relay (1.0) Calculated Property
ΔfG°	181.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-39.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.32	kJ/mol	Joback Calculated Property
ΔvapH°	63.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	1519.60		NIST
I	[1717.50; 1717.50]
I	1717.50		NIST
I	1717.50		NIST
Tboil	523.57	K	Relay (1.0) Calculated Property
Tc	728.72	K	Relay (1.0) Calculated Property
Tfus	263.49	K	Relay (1.0) Calculated Property
Vc	0.659	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.03; 616.73]	J/mol×K	[581.24; 805.31]
Cp,gas	501.03	J/mol×K	581.24	Joback Calculated Property
Cp,gas	523.21	J/mol×K	618.59	Joback Calculated Property
Cp,gas	544.03	J/mol×K	655.93	Joback Calculated Property
Cp,gas	563.63	J/mol×K	693.28	Joback Calculated Property
Cp,gas	582.18	J/mol×K	730.62	Joback Calculated Property
Cp,gas	599.82	J/mol×K	767.97	Joback Calculated Property
Cp,gas	616.73	J/mol×K	805.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to ent-selina-1,4-diene.

Sources

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

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