Chemical Properties of Exo-4-hydroxy-exo-exo-tetracyclo[6.2.1.13,602,7]dodecane (CAS 74007-11-7)

InChI

InChI=1S/C12H18O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-13H,1-5H2/t6-,7+,8-,9+,10+,11?,12?/m1/s1

InChI Key

LXGJTVCALLQHGZ-LKHLAHSYSA-N

Formula

C12H18O

SMILES

OC1CC2CC1C1C3CCC(C3)C21

Molecular Weight¹

178.27

CAS

74007-11-7

Other Names

• Exo-4-hydroxy-exo-exo-tetracyclo[6.2.1.1

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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	0.5012		Relay (1.0) Calculated Property
ΔcH°solid	-7009.70 ± 3.90	kJ/mol	NIST
ΔfG°	133.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.00 ± 4.50	kJ/mol	NIST
ΔfH°solid	-284.90 ± 3.90	kJ/mol	NIST
ΔfusH°	26.68	kJ/mol	Joback Calculated Property
ΔsubH°	[75.90; 75.90]	kJ/mol
ΔsubH°	75.90 ± 2.20	kJ/mol	NIST
ΔsubH°	75.90	kJ/mol	NIST
ΔsubH°	75.90 ± 2.20	kJ/mol	NIST
ΔvapH°	85.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	2.049		Crippen Calculated Property
McVol	142.370	ml/mol	McGowan Calculated Property
Pc	2899.85	kPa	Joback Calculated Property
Tboil	531.96	K	Relay (1.0) Calculated Property
Tc	813.52	K	Relay (1.0) Calculated Property
Tfus	482.56	K	Relay (1.0) Calculated Property
Vc	0.558	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[427.07; 521.17]	J/mol×K	[579.09; 780.15]
Cp,gas	427.07	J/mol×K	579.09	Joback Calculated Property
Cp,gas	445.44	J/mol×K	612.60	Joback Calculated Property
Cp,gas	462.60	J/mol×K	646.11	Joback Calculated Property
Cp,gas	478.65	J/mol×K	679.62	Joback Calculated Property
Cp,gas	493.69	J/mol×K	713.13	Joback Calculated Property
Cp,gas	507.83	J/mol×K	746.64	Joback Calculated Property
Cp,gas	521.17	J/mol×K	780.15	Joback Calculated Property
η	[0.0033520; 0.0050743]	Pa×s	[344.86; 579.09]
η	0.0050743	Pa×s	344.86	Joback Calculated Property
η	0.0045720	Pa×s	383.90	Joback Calculated Property
η	0.0041994	Pa×s	422.94	Joback Calculated Property
η	0.0039131	Pa×s	461.98	Joback Calculated Property
η	0.0036866	Pa×s	501.01	Joback Calculated Property
η	0.0035032	Pa×s	540.05	Joback Calculated Property
η	0.0033520	Pa×s	579.09	Joback Calculated Property
ΔsubH	74.00 ± 2.00	kJ/mol	333.00	NIST

Similar Compounds

Find more compounds similar to Exo-4-hydroxy-exo-exo-tetracyclo[6.2.1.13,602,7]dodecane.

Sources

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

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