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_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°	213.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-140.09	kJ/mol	Joback Calculated Property
ΔfusH°	23.87	kJ/mol	Joback Calculated Property
ΔvapH°	43.83	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2231.30	kPa	Joback 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
Tboil	511.99	K	Joback Calculated Property
Tc	716.41	K	Joback Calculated Property
Tfus	278.09	K	Joback Calculated Property
Vc	0.625	m3/kmol	Joback Calculated Property

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

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.