Chemical Properties of 2-Chloroadamantane (CAS 7346-41-0)

InChI

InChI=1S/C10H15Cl/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

InChI Key

DPCLLPAHJSYBTE-UHFFFAOYSA-N

Formula

C10H15Cl

SMILES

ClC1C2CC3CC(C2)CC1C3

Molecular Weight¹

170.68

CAS

7346-41-0

Other Names

• 2-chlorotricyclo[3.3.1.1(3,7)]decane
• 2-chlorotricyclo[3.3.1.13,7]decane
• Adamantane, 2-chloro
• Tricyclo[3.3.1.1(3,7)-]decane, 2-chloro-
• adamantane, 2-chloro-

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-177.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.30	kJ/mol	Six-membered ring aliphatic compounds: A search for regularities in phase transitions
ΔsubH°	61.50 ± 0.80	kJ/mol	NIST
ΔvapH°	54.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
logPoct/wat	3.050		Crippen Calculated Property
McVol	131.420	ml/mol	McGowan Calculated Property
Inp	[1342.00; 1404.00]
Inp	1350.00		NIST
Inp	1345.00		NIST
Inp	1342.00		NIST
Inp	1361.00		NIST
Inp	1376.00		NIST
Inp	Outlier 1404.00		NIST
Inp	1342.00		NIST
Inp	1350.00		NIST
Inp	1342.00		NIST
I	[1738.00; 1791.00]
I	1745.00		NIST
I	1741.00		NIST
I	1738.00		NIST
I	1765.00		NIST
I	1791.00		NIST
Tfus	503.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.29; 409.42]	J/mol×K	[480.78; 700.35]
Cp,gas	307.29	J/mol×K	480.78	Joback Calculated Property
Cp,gas	327.56	J/mol×K	517.38	Joback Calculated Property
Cp,gas	346.41	J/mol×K	553.97	Joback Calculated Property
Cp,gas	363.92	J/mol×K	590.57	Joback Calculated Property
Cp,gas	380.20	J/mol×K	627.16	Joback Calculated Property
Cp,gas	395.33	J/mol×K	663.76	Joback Calculated Property
Cp,gas	409.42	J/mol×K	700.35	Joback Calculated Property
η	[0.0008313; 0.0015711]	Pa×s	[274.20; 480.78]
η	0.0008313	Pa×s	274.20	Joback Calculated Property
η	0.0009807	Pa×s	308.63	Joback Calculated Property
η	0.0011192	Pa×s	343.06	Joback Calculated Property
η	0.0012468	Pa×s	377.49	Joback Calculated Property
η	0.0013641	Pa×s	411.92	Joback Calculated Property
η	0.0014719	Pa×s	446.35	Joback Calculated Property
η	0.0015711	Pa×s	480.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroadamantane.

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
• Six-membered ring aliphatic compounds: A search for regularities in phase transitions
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.