Chemical Properties of 4-Methyldiadamantane (CAS 30545-28-9)

InChI

InChI=1S/C15H22/c1-7-9-5-11-10-2-8-3-13(11)15(7)14(4-8)12(10)6-9/h7-15H,2-6H2,1H3

InChI Key

XCSWTEQBPOHNPL-UHFFFAOYSA-N

Formula

C15H22

SMILES

CC1C2CC3C4CC5CC3C1C(C5)C4C2

Molecular Weight¹

202.34

CAS

30545-28-9

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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
ΔcH°solid	-8786.19 ± 0.71	kJ/mol	NIST
ΔfG°	360.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.10 ± 1.30	kJ/mol	NIST
ΔfH°solid	-261.50 ± 0.71	kJ/mol	NIST
ΔfusH°	31.66	kJ/mol	Joback Calculated Property
ΔsubH°	[79.40; 79.41]	kJ/mol
ΔsubH°	79.41	kJ/mol	NIST
ΔsubH°	79.40	kJ/mol	NIST
ΔvapH°	47.14	kJ/mol	Joback Calculated Property
log10WS	-3.40		Crippen Calculated Property
logPoct/wat	3.571		Crippen Calculated Property
McVol	167.910	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Tboil	553.35	K	Joback Calculated Property
Tc	766.87	K	Joback Calculated Property
Tfus	335.07	K	Joback Calculated Property
Vc	0.664	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.10; 618.96]	J/mol×K	[553.35; 766.87]
Cp,gas	494.10	J/mol×K	553.35	Joback Calculated Property
Cp,gas	518.76	J/mol×K	588.94	Joback Calculated Property
Cp,gas	541.68	J/mol×K	624.52	Joback Calculated Property
Cp,gas	563.00	J/mol×K	660.11	Joback Calculated Property
Cp,gas	582.88	J/mol×K	695.69	Joback Calculated Property
Cp,gas	601.48	J/mol×K	731.28	Joback Calculated Property
Cp,gas	618.96	J/mol×K	766.87	Joback Calculated Property
η	[0.0015163; 0.0171508]	Pa×s	[335.07; 553.35]
η	0.0015163	Pa×s	335.07	Joback Calculated Property
η	0.0027692	Pa×s	371.45	Joback Calculated Property
η	0.0045421	Pa×s	407.83	Joback Calculated Property
η	0.0068700	Pa×s	444.21	Joback Calculated Property
η	0.0097600	Pa×s	480.59	Joback Calculated Property
η	0.0131972	Pa×s	516.97	Joback Calculated Property
η	0.0171508	Pa×s	553.35	Joback Calculated Property
ΔsubH	103.10 ± 1.00	kJ/mol	316.00	NIST

Similar Compounds

Find more compounds similar to 4-Methyldiadamantane.

Sources

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

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