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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	-192.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.35	kJ/mol	Joback Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan 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
Tfus	440.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[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

• 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
• 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.