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

• 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_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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7009.70 ± 3.90	kJ/mol	NIST
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°	85.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
logPoct/wat	2.049		Crippen Calculated Property
McVol	142.370	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.57; 596.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.85880e+02
Coefficient B			1.70190e+00
Coefficient C			-1.37400e-03
Coefficient D			4.54000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.57	J/mol×K	273.00	Calculated Property
Cp,gas	264.35	J/mol×K	353.78	Calculated Property
Cp,gas	331.48	J/mol×K	434.56	Calculated Property
Cp,gas	388.41	J/mol×K	515.33	Calculated Property
Cp,gas	436.56	J/mol×K	596.11	Calculated Property
Cp,gas	477.38	J/mol×K	676.89	Calculated Property
Cp,gas	512.30	J/mol×K	757.67	Calculated Property
Cp,gas	542.76	J/mol×K	838.44	Calculated Property
Cp,gas	570.18	J/mol×K	919.22	Calculated Property
Cp,gas	596.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050743; 0.0034771]	Pa×s	[344.86; 546.30]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-6.30867e+00
Coefficient B			3.53520e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			344.86
Temperature range, max.			546.30
η	0.0050743	Pa×s	344.86	Calculated Property
η	0.0047670	Pa×s	367.24	Calculated Property
η	0.0045106	Pa×s	389.62	Calculated Property
η	0.0042936	Pa×s	412.01	Calculated Property
η	0.0041079	Pa×s	434.39	Calculated Property
η	0.0039473	Pa×s	456.77	Calculated Property
η	0.0038072	Pa×s	479.15	Calculated Property
η	0.0036839	Pa×s	501.53	Calculated Property
η	0.0035746	Pa×s	523.91	Calculated Property
η	0.0034771	Pa×s	546.30	Calculated Property

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)
• 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
• Joback Method
• McGowan Method
• NIST Webbook

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