Chemical Properties of Calarane

InChI

InChI=1S/C15H26/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h10-13H,5-9H2,1-4H3/t10-,11?,12-,13+,15+/m0/s1

InChI Key

MKGHZTWCWRGKCY-HHQTYALHSA-N

Formula

C15H26

SMILES

CC1CCCC2CCC3C(C3(C)C)C12C

Molecular Weight¹

206.37

• 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°	199.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.39	kJ/mol	Joback Calculated Property
ΔfusH°	15.43	kJ/mol	Joback Calculated Property
ΔvapH°	45.84	kJ/mol	Joback Calculated Property
log10WS	-4.34		Crippen Calculated Property
logPoct/wat	4.495		Crippen Calculated Property
McVol	189.630	ml/mol	McGowan Calculated Property
Pc	2016.32	kPa	Joback Calculated Property
Inp	[1489.00; 1508.00]
Inp	1489.00		NIST
Inp	1508.00		NIST
Inp	1489.00		NIST
I	[1670.00; 1670.00]
I	1670.00		NIST
I	1670.00		NIST
Tboil	557.83	K	Joback Calculated Property
Tc	780.06	K	Joback Calculated Property
Tfus	340.67	K	Joback Calculated Property
Vc	0.724	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.52; 652.86]	J/mol×K	[557.83; 780.06]
Cp,gas	522.52	J/mol×K	557.83	Joback Calculated Property
Cp,gas	547.59	J/mol×K	594.87	Joback Calculated Property
Cp,gas	570.94	J/mol×K	631.91	Joback Calculated Property
Cp,gas	592.86	J/mol×K	668.95	Joback Calculated Property
Cp,gas	613.64	J/mol×K	705.99	Joback Calculated Property
Cp,gas	633.54	J/mol×K	743.02	Joback Calculated Property
Cp,gas	652.86	J/mol×K	780.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Calarane.

Sources

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

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