Chemical Properties of 1-propyladamantane

InChI

InChI=1S/C13H22/c1-2-3-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,2-9H2,1H3/t10-,11-,12?,13-/m0/s1

InChI Key

SCKYQTNMKBTHDQ-XYIZDEMUSA-N

Formula

C13H22

SMILES

CCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

178.31

Other Names

• 1-n-propyl-adamantane

• 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).
• 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°	215.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.51	kJ/mol	Joback Calculated Property
ΔfusH°	16.50	kJ/mol	Joback Calculated Property
ΔvapH°	42.98	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2405.28	kPa	Joback Calculated Property
Inp	[1322.00; 1373.00]
Inp	1347.00		NIST
Inp	1322.00		NIST
Inp	1326.00		NIST
Inp	1335.00		NIST
Inp	1346.00		NIST
Inp	1322.00		NIST
Inp	1326.00		NIST
Inp	1335.00		NIST
Inp	1346.00		NIST
Inp	1347.00		NIST
Inp	1361.00		NIST
Inp	Outlier 1373.00		NIST
I	[1529.00; 1572.00]
I	1529.00		NIST
I	1552.00		NIST
I	1572.00		NIST
Tboil	516.90	K	Joback Calculated Property
Tc	730.05	K	Joback Calculated Property
Tfus	306.23	K	Joback Calculated Property
Vc	0.624	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.63; 531.98]	J/mol×K	[516.90; 730.05]
Cp,gas	417.63	J/mol×K	516.90	Joback Calculated Property
Cp,gas	440.16	J/mol×K	552.42	Joback Calculated Property
Cp,gas	461.05	J/mol×K	587.95	Joback Calculated Property
Cp,gas	480.49	J/mol×K	623.47	Joback Calculated Property
Cp,gas	498.67	J/mol×K	659.00	Joback Calculated Property
Cp,gas	515.78	J/mol×K	694.52	Joback Calculated Property
Cp,gas	531.98	J/mol×K	730.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-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.