Chemical Properties of 4-Methyldiadamantane

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

• 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_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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-8786.19 ± 0.71	kJ/mol	NIST
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°	70.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
logPoct/wat	3.571		Crippen Calculated Property
McVol	167.910	ml/mol	McGowan Calculated Property
Tfus	461.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[494.24; 619.09]	J/mol×K	[553.55; 767.14]
Cp,gas	494.24	J/mol×K	553.55	Joback Calculated Property
Cp,gas	518.90	J/mol×K	589.15	Joback Calculated Property
Cp,gas	541.82	J/mol×K	624.75	Joback Calculated Property
Cp,gas	563.13	J/mol×K	660.35	Joback Calculated Property
Cp,gas	583.01	J/mol×K	695.95	Joback Calculated Property
Cp,gas	601.61	J/mol×K	731.55	Joback Calculated Property
Cp,gas	619.09	J/mol×K	767.14	Joback Calculated Property
η	[0.0015163; 0.0171739]	Pa×s	[335.07; 553.55]
η	0.0015163	Pa×s	335.07	Joback Calculated Property
η	0.0027706	Pa×s	371.48	Joback Calculated Property
η	0.0045458	Pa×s	407.90	Joback Calculated Property
η	0.0068772	Pa×s	444.31	Joback Calculated Property
η	0.0097716	Pa×s	480.72	Joback Calculated Property
η	0.0132142	Pa×s	517.14	Joback Calculated Property
η	0.0171739	Pa×s	553.55	Joback Calculated Property
ΔsubH	103.10 ± 1.00	kJ/mol	316.00	NIST

Similar Compounds

Find more compounds similar to 4-Methyldiadamantane.

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.
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