Chemical Properties of (1R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene (CAS 58319-06-5)

InChI

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

InChI Key

UCQHFDKBUHCAFR-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC(C)=CCCC(C)C12CC=C(C)C1C2

Molecular Weight¹

204.35

CAS

58319-06-5

Other Names

• Sesquithujene
• 7-epi-Sesquithujene
• Episesquithujene

• 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	0.3743		Relay (... Calculated Property
ΔfG°	280.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-11.46	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.78	kJ/mol	Joback Calculated Property
ΔvapH°	63.97	kJ/mol	Relay (... Calculated Property
IE	7.91	eV	Relay (... Calculated Property
log10WS	-5.57		Relay (... Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1945.79	kPa	Joback Calculated Property
Inp	[1389.00; 1420.00]
Inp	1413.00		NIST
Inp	1420.00		NIST
Inp	1392.00		NIST
Inp	1417.00		NIST
Inp	1393.00		NIST
Inp	1392.00		NIST
Inp	1408.00		NIST
Inp	1389.00		NIST
Inp	1389.00		NIST
Inp	1391.00		NIST
Inp	1389.00		NIST
I	1560.00		NIST
Tboil	519.08	K	Relay (... Calculated Property
Tc	733.08	K	Relay (... Calculated Property
Tfus	212.51	K	Relay (... Calculated Property
Vc	0.665	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.08; 596.76]	J/mol×K	[564.06; 768.86]
Cp,gas	495.08	J/mol×K	564.06	Joback Calculated Property
Cp,gas	514.58	J/mol×K	598.19	Joback Calculated Property
Cp,gas	532.84	J/mol×K	632.33	Joback Calculated Property
Cp,gas	550.02	J/mol×K	666.46	Joback Calculated Property
Cp,gas	566.29	J/mol×K	700.59	Joback Calculated Property
Cp,gas	581.82	J/mol×K	734.73	Joback Calculated Property
Cp,gas	596.76	J/mol×K	768.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,5R)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene.

Sources

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

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