Chemical Properties of 2-n-Propyladamantane (CAS 14451-88-8)

InChI

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

InChI Key

HMUYSRNQYPLWHB-UHFFFAOYSA-N

Formula

C13H22

SMILES

CCCC1C2CC3CC(C2)CC1C3

Molecular Weight¹

178.31

CAS

14451-88-8

Other Names

• 2-Propyladamantane

• 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	-187.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.87	kJ/mol	Joback Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Inp	[1336.00; 1396.00]
Inp	1371.00		NIST
Inp	1336.00		NIST
Inp	1346.00		NIST
Inp	1353.00		NIST
Inp	1363.00		NIST
Inp	1336.00		NIST
Inp	1346.00		NIST
Inp	1353.00		NIST
Inp	1363.00		NIST
Inp	1371.00		NIST
Inp	1384.00		NIST
Inp	Outlier 1396.00		NIST
Inp	1371.00		NIST
Inp	1371.00		NIST
I	[1559.00; 1601.00]
I	1559.00		NIST
I	1581.00		NIST
I	1601.00		NIST
I	1559.00		NIST
Tfus	397.63	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	[417.65; 535.53]	J/mol×K	[511.99; 716.41]
Cp,gas	417.65	J/mol×K	511.99	Joback Calculated Property
Cp,gas	440.53	J/mol×K	546.06	Joback Calculated Property
Cp,gas	462.00	J/mol×K	580.13	Joback Calculated Property
Cp,gas	482.15	J/mol×K	614.20	Joback Calculated Property
Cp,gas	501.07	J/mol×K	648.27	Joback Calculated Property
Cp,gas	518.83	J/mol×K	682.34	Joback Calculated Property
Cp,gas	535.53	J/mol×K	716.41	Joback Calculated Property
η	[0.0009768; 0.0015859]	Pa×s	[278.09; 511.99]
η	0.0009768	Pa×s	278.09	Joback Calculated Property
η	0.0011128	Pa×s	317.07	Joback Calculated Property
η	0.0012322	Pa×s	356.06	Joback Calculated Property
η	0.0013372	Pa×s	395.04	Joback Calculated Property
η	0.0014299	Pa×s	434.02	Joback Calculated Property
η	0.0015123	Pa×s	473.01	Joback Calculated Property
η	0.0015859	Pa×s	511.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-n-Propyladamantane.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.