Chemical Properties of 2-isopropyladamantane

InChI

InChI=1S/C13H22/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3/t9-,10?,11+,12-,13?

InChI Key

GNFZEYQQRJBGMB-VNAIHZQWSA-N

Formula

C13H22

SMILES

CC(C)C1C2CC3CC(C2)CC1C3

Molecular Weight¹

178.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	210.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.37	kJ/mol	Joback Calculated Property
ΔfusH°	20.35	kJ/mol	Joback Calculated Property
ΔvapH°	43.44	kJ/mol	Joback Calculated Property
log10WS	-3.50		Crippen Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2248.26	kPa	Joback Calculated Property
Inp	[1317.00; 1386.00]
Inp	1349.00		NIST
Inp	1317.00		NIST
Inp	1333.00		NIST
Inp	1342.00		NIST
Inp	1317.00		NIST
Inp	1333.00		NIST
Inp	1342.00		NIST
Inp	1349.00		NIST
Inp	1360.00		NIST
Inp	1374.00		NIST
Inp	1386.00		NIST
Inp	1349.00		NIST
Inp	1333.00		NIST
Inp	1386.00		NIST
I	[1540.00; 1582.00]
I	1540.00		NIST
I	1561.00		NIST
I	1582.00		NIST
I	1540.00		NIST
Tboil	511.55	K	Joback Calculated Property
Tc	720.55	K	Joback Calculated Property
Tfus	263.09	K	Joback Calculated Property
Vc	0.619	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.79; 538.22]	J/mol×K	[511.55; 720.55]
Cp,gas	417.79	J/mol×K	511.55	Joback Calculated Property
Cp,gas	441.25	J/mol×K	546.38	Joback Calculated Property
Cp,gas	463.24	J/mol×K	581.22	Joback Calculated Property
Cp,gas	483.84	J/mol×K	616.05	Joback Calculated Property
Cp,gas	503.15	J/mol×K	650.88	Joback Calculated Property
Cp,gas	521.24	J/mol×K	685.72	Joback Calculated Property
Cp,gas	538.22	J/mol×K	720.55	Joback Calculated Property
η	[0.0009284; 0.0014927]	Pa×s	[263.09; 511.55]
η	0.0009284	Pa×s	263.09	Joback Calculated Property
η	0.0010605	Pa×s	304.50	Joback Calculated Property
η	0.0011733	Pa×s	345.91	Joback Calculated Property
η	0.0012704	Pa×s	387.32	Joback Calculated Property
η	0.0013545	Pa×s	428.73	Joback Calculated Property
η	0.0014280	Pa×s	470.14	Joback Calculated Property
η	0.0014927	Pa×s	511.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-isopropyladamantane.

Sources

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

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