Chemical Properties of 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-acetoxycyclohexane)

InChI

InChI=1S/C14H20O2/c1-10(15)16-13-4-2-3-7-14(13)9-11-5-6-12(14)8-11/h5-6,11-13H,2-4,7-9H2,1H3

InChI Key

HEXQELLSZNDDTC-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CC(=O)OC1CCCCC12CC1C=CC2C1

Molecular Weight¹

220.31

• 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	0.4095		Relay (1.0) Calculated Property
ΔfG°	-4.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-424.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.90	kJ/mol	Joback Calculated Property
ΔvapH°	73.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.075		Crippen Calculated Property
McVol	178.680	ml/mol	McGowan Calculated Property
Pc	2492.52	kPa	Joback Calculated Property
Inp	[1583.70; 1590.60]
Inp	1583.70		NIST
Inp	1590.60		NIST
I	[2079.40; 2091.70]
I	2079.40		NIST
I	2091.70		NIST
Tboil	544.96	K	Relay (1.0) Calculated Property
Tc	788.50	K	Relay (1.0) Calculated Property
Tfus	317.12	K	Relay (1.0) Calculated Property
Vc	0.617	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.86; 618.24]	J/mol×K	[623.77; 855.71]
Cp,gas	509.86	J/mol×K	623.77	Joback Calculated Property
Cp,gas	530.65	J/mol×K	662.43	Joback Calculated Property
Cp,gas	550.08	J/mol×K	701.08	Joback Calculated Property
Cp,gas	568.36	J/mol×K	739.74	Joback Calculated Property
Cp,gas	585.68	J/mol×K	778.39	Joback Calculated Property
Cp,gas	602.24	J/mol×K	817.05	Joback Calculated Property
Cp,gas	618.24	J/mol×K	855.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-acetoxycyclohexane).

Sources

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

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