Chemical Properties of (6S)-2-Methyl-6-[(1R)-4-methylenecyclohex-2-enyl]hept-2-ene

InChI

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m1/s1

InChI Key

PHWISBHSBNDZDX-CABCVRRESA-N

Formula

C15H24

SMILES

C=C1C=CC(C(C)CCC=C(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.
• 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	0.3825		Relay (1.0) Calculated Property
ΔfG°	252.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-35.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.87	kJ/mol	Joback Calculated Property
ΔvapH°	64.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1837.26	kPa	Joback Calculated Property
Inp	[1537.00; 1537.00]
Inp	1537.00		NIST
Inp	1537.00		NIST
Tboil	526.53	K	Relay (1.0) Calculated Property
Tc	714.29	K	Relay (1.0) Calculated Property
Tfus	228.62	K	Relay (1.0) Calculated Property
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.92; 601.14]	J/mol×K	[564.07; 768.15]
Cp,gas	492.92	J/mol×K	564.07	Joback Calculated Property
Cp,gas	513.68	J/mol×K	598.08	Joback Calculated Property
Cp,gas	533.28	J/mol×K	632.10	Joback Calculated Property
Cp,gas	551.78	J/mol×K	666.11	Joback Calculated Property
Cp,gas	569.23	J/mol×K	700.12	Joback Calculated Property
Cp,gas	585.67	J/mol×K	734.14	Joback Calculated Property
Cp,gas	601.14	J/mol×K	768.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to (6S)-2-Methyl-6-[(1R)-4-methylenecyclohex-2-enyl]hept-2-ene.

Sources

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

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