Chemical Properties of 1,4:5,8-Dimethanonaphthalen-9-ol, decahydro-, stereoisomer (CAS 36197-16-7)

InChI

InChI=1S/C12H18O/c13-12-8-3-4-9(12)11-7-2-1-6(5-7)10(8)11/h6-13H,1-5H2

InChI Key

ZPOMMBHYDITYNL-UHFFFAOYSA-N

Formula

C12H18O

SMILES

[O]C1C2CCC1C1C3CCC(C3)C21

Molecular Weight¹

178.27

CAS

36197-16-7

• 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	0.3958		Relay (1.0) Calculated Property
ΔfG°	33.58	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-196.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.78	kJ/mol	Relay (1.0) Calculated Property
IE	[8.90; 9.60]	eV
IE	8.90	eV	NIST
IE	9.60	eV	NIST
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	140.220	ml/mol	McGowan Calculated Property
Pc	2795.41	kPa	Relay (1.0-beta) Calculated Property
Tboil	524.78	K	Relay (1.0) Calculated Property
Tc	795.57	K	Relay (1.0) Calculated Property
Tfus	483.14	K	Relay (1.0) Calculated Property
Vc	0.549	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,4:5,8-Dimethanonaphthalen-9-ol, decahydro-, 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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