Chemical Properties of 1,3,3-Trimethyl-7-(5-methylcyclopenta-1,4-dien-1-yl)-2-oxabicyclo[2.2. 1]heptane

InChI

InChI=1S/C15H22O/c1-10-6-5-7-11(10)13-12-8-9-15(13,4)16-14(12,2)3/h6-7,12-13H,5,8-9H2,1-4H3

InChI Key

DQXNTIGIDAIKGR-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC1=CCC=C1C1C2CCC1(C)OC2(C)C

Molecular Weight¹

218.33

• 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	0.3662		Relay (... Calculated Property
ΔfG°	157.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-143.74	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.83	kJ/mol	Joback Calculated Property
ΔvapH°	69.62	kJ/mol	Relay (... Calculated Property
IE	7.75	eV	Relay (... Calculated Property
log10WS	-3.27		Relay (... Calculated Property
logPoct/wat	3.857		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2261.11	kPa	Joback Calculated Property
Inp	[1477.00; 1477.00]
Inp	1477.00		NIST
Inp	1477.00		NIST
Tboil	536.57	K	Relay (... Calculated Property
Tc	773.56	K	Relay (... Calculated Property
Tfus	313.39	K	Relay (... Calculated Property
Vc	0.697	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.90; 631.20]	J/mol×K	[606.67; 840.69]
Cp,gas	518.90	J/mol×K	606.67	Joback Calculated Property
Cp,gas	539.75	J/mol×K	645.67	Joback Calculated Property
Cp,gas	559.32	J/mol×K	684.68	Joback Calculated Property
Cp,gas	577.94	J/mol×K	723.68	Joback Calculated Property
Cp,gas	595.91	J/mol×K	762.68	Joback Calculated Property
Cp,gas	613.56	J/mol×K	801.69	Joback Calculated Property
Cp,gas	631.20	J/mol×K	840.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,3-Trimethyl-7-(5-methylcyclopenta-1,4-dien-1-yl)-2-oxabicyclo[2.2. 1]heptane.

Sources

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

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