Chemical Properties of (1S,5S)-4-Methylene-1-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexane (CAS 58319-04-3)

InChI

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

InChI Key

DYUSFBWNOCHOFP-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1CCC2(C(C)CCC=C(C)C)CC12

Molecular Weight¹

204.35

CAS

58319-04-3

Other Names

• Bicyclo[3.1.0]hexane, 1-[(1R)-1,5-dimethyl-4-hexen-1-yl]-4-methylene-, (1S,5S)-
• Bicyclo[3.1.0]hexane, 1-[(1R)-1,5-dimethyl-4-hexenyl]-4-methylene-, (1S,5S)-
• Sesquisabinene

• 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	0.3750		Relay (1.0) Calculated Property
ΔfG°	313.74	kJ/mol	Joback Calculated Property
ΔfH°gas	38.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.79	kJ/mol	Joback Calculated Property
ΔvapH°	61.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1942.37	kPa	Joback Calculated Property
Inp	[1437.00; 1467.00]
Inp	1459.00		NIST
Inp	1444.00		NIST
Inp	1465.00		NIST
Inp	1464.00		NIST
Inp	1467.00		NIST
Inp	1437.00		NIST
Inp	1446.00		NIST
Inp	1446.00		NIST
Inp	1459.00		NIST
I	[1648.00; 1648.00]
I	1648.00		NIST
I	1648.00		NIST
Tboil	523.93	K	Relay (1.0) Calculated Property
Tc	733.48	K	Relay (1.0) Calculated Property
Tfus	223.29	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.68; 596.38]	J/mol×K	[559.08; 762.67]
Cp,gas	493.68	J/mol×K	559.08	Joback Calculated Property
Cp,gas	513.41	J/mol×K	593.01	Joback Calculated Property
Cp,gas	531.88	J/mol×K	626.94	Joback Calculated Property
Cp,gas	549.25	J/mol×K	660.88	Joback Calculated Property
Cp,gas	565.68	J/mol×K	694.81	Joback Calculated Property
Cp,gas	581.34	J/mol×K	728.74	Joback Calculated Property
Cp,gas	596.38	J/mol×K	762.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,5S)-4-Methylene-1-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexane.

Sources

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

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