Chemical Properties of (+)-(1R,4S,5S,6S,7R)-6,11-Epoxyisodaucane

InChI

InChI=1S/C15H26O/c1-10-6-5-8-15(4)9-7-11-12(15)13(10)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11+,12?,13-,15-/m1/s1

InChI Key

GAZOZLXFXCZLCJ-SMGHJGIKSA-N

Formula

C15H26O

SMILES

CC1CCCC2(C)CCC3C2C1OC3(C)C

Molecular Weight¹

222.37

• 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	0.3874		Relay (1.0) Calculated Property
ΔfG°	101.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-323.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.31	kJ/mol	Joback Calculated Property
ΔvapH°	63.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	4.016		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[1468.00; 1468.00]
Inp	1468.00		NIST
Inp	1468.00		NIST
Tboil	537.81	K	Relay (1.0) Calculated Property
Tc	779.94	K	Relay (1.0) Calculated Property
Tfus	333.13	K	Relay (1.0) Calculated Property
Vc	0.719	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.58; 692.75]	J/mol×K	[589.05; 816.69]
Cp,gas	561.58	J/mol×K	589.05	Joback Calculated Property
Cp,gas	586.42	J/mol×K	626.99	Joback Calculated Property
Cp,gas	609.68	J/mol×K	664.93	Joback Calculated Property
Cp,gas	631.66	J/mol×K	702.87	Joback Calculated Property
Cp,gas	652.64	J/mol×K	740.81	Joback Calculated Property
Cp,gas	672.91	J/mol×K	778.75	Joback Calculated Property
Cp,gas	692.75	J/mol×K	816.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-(1R,4S,5S,6S,7R)-6,11-Epoxyisodaucane.

Sources

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

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