Chemical Properties of Adamantane, 1,3-dichloro (CAS 16104-50-0)

InChI

InChI=1S/C10H14Cl2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2

InChI Key

DZLCQHWJVJXVES-UHFFFAOYSA-N

Formula

C10H14Cl2

SMILES

ClC12CC3CC(C1)CC(Cl)(C3)C2

Molecular Weight¹

205.12

CAS

16104-50-0

Other Names

• 1,3-dichloroadamantane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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
ΔfG°	160.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-58.83	kJ/mol	Joback Calculated Property
ΔfusH°	10.83	kJ/mol	Joback Calculated Property
ΔvapH°	43.92	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.555		Crippen Calculated Property
McVol	143.660	ml/mol	McGowan Calculated Property
Pc	3156.17	kPa	Joback Calculated Property
Inp	[1453.00; 1453.00]
Inp	1453.00		NIST
Inp	1453.00		NIST
Inp	1453.00		NIST
I	[2013.00; 2013.00]
I	2013.00		NIST
I	2013.00		NIST
Tboil	523.36	K	Joback Calculated Property
Tc	768.67	K	Joback Calculated Property
Tfus	356.16	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.92; 427.99]	J/mol×K	[523.36; 768.67]
Cp,gas	338.92	J/mol×K	523.36	Joback Calculated Property
Cp,gas	357.11	J/mol×K	564.24	Joback Calculated Property
Cp,gas	373.44	J/mol×K	605.13	Joback Calculated Property
Cp,gas	388.29	J/mol×K	646.01	Joback Calculated Property
Cp,gas	402.07	J/mol×K	686.90	Joback Calculated Property
Cp,gas	415.18	J/mol×K	727.78	Joback Calculated Property
Cp,gas	427.99	J/mol×K	768.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adamantane, 1,3-dichloro.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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