Chemical Properties of 1,4:5,8-Dimethanonaphthalen-9-ol, 1,4,4a,5,6,7,8,8a-octahydro-, stereoisomer (CAS 28068-45-3)

InChI

InChI=1S/C12H16O/c13-12-8-3-4-9(12)11-7-2-1-6(5-7)10(8)11/h1-2,6-13H,3-5H2

InChI Key

NGFZLQIRULRVPV-UHFFFAOYSA-N

Formula

C12H16O

SMILES

[O]C1C2CCC1C1C3C=CC(C3)C21

Molecular Weight¹

176.25

CAS

28068-45-3

Other Names

• 1,4:5,8-Dimethanonaphthalen-9-ol, 1,4,4a,5,6,7,8,8a-octahydro-, anti-endo,exo-
• Tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-4-ene-11-ol, stereoisomer

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• 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	0.3643		Relay (... Calculated Property
ΔfG°	92.33	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-63.22	kJ/mol	Relay (... Calculated Property
ΔvapH°	64.46	kJ/mol	Relay (... Calculated Property
IE	[8.30; 9.01]	eV
IE	8.30	eV	NIST
IE	9.01	eV	NIST
log10WS	-4.67		Relay (... Calculated Property
logPoct/wat	2.264		Crippen Calculated Property
McVol	135.920	ml/mol	McGowan Calculated Property
Pc	2931.91	kPa	Relay (... Calculated Property ⚠️
Tboil	520.43	K	Relay (... Calculated Property
Tc	779.13	K	Relay (... Calculated Property
Tfus	469.27	K	Relay (... Calculated Property
Vc	0.528	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1,4:5,8-Dimethanonaphthalen-9-ol, 1,4,4a,5,6,7,8,8a-octahydro-, stereoisomer.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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