Chemical Properties of 1-isopropyladamantane

InChI

InChI=1S/C13H22/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12H,3-8H2,1-2H3/t10-,11-,12?,13-/m0/s1

InChI Key

ISDSLPMQFWIUPU-XYIZDEMUSA-N

Formula

C13H22

SMILES

CC(C)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

178.31

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.3544		Relay (1.0) Calculated Property
ΔfG°	213.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.98	kJ/mol	Joback Calculated Property
ΔvapH°	55.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2424.27	kPa	Joback Calculated Property
Inp	[1331.00; 1401.00]
Inp	1401.00		NIST
Inp	1358.00		NIST
Inp	1331.00		NIST
Inp	1337.00		NIST
Inp	1347.00		NIST
Inp	1358.00		NIST
Inp	1331.00		NIST
Inp	1337.00		NIST
Inp	1347.00		NIST
Inp	1358.00		NIST
Inp	1358.00		NIST
Inp	1374.00		NIST
Inp	1386.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1358.00		NIST
I	[1561.00; 1605.00]
I	1561.00		NIST
I	1583.00		NIST
I	1605.00		NIST
I	1561.00		NIST
Tboil	506.61	K	Relay (1.0) Calculated Property
Tc	741.52	K	Relay (1.0) Calculated Property
Tfus	421.98	K	Relay (1.0) Calculated Property
Vc	0.586	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.80; 534.69]	J/mol×K	[516.46; 734.47]
Cp,gas	417.80	J/mol×K	516.46	Joback Calculated Property
Cp,gas	440.91	J/mol×K	552.80	Joback Calculated Property
Cp,gas	462.31	J/mol×K	589.13	Joback Calculated Property
Cp,gas	482.19	J/mol×K	625.47	Joback Calculated Property
Cp,gas	500.75	J/mol×K	661.80	Joback Calculated Property
Cp,gas	518.19	J/mol×K	698.14	Joback Calculated Property
Cp,gas	534.69	J/mol×K	734.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-isopropyladamantane.

Sources

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

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