Chemical Properties of 3-Methyldiadamantane

InChI

InChI=1S/C15H22/c1-15-5-12-9-2-8-3-10(12)14(7-15)11(4-8)13(9)6-15/h8-14H,2-7H2,1H3

InChI Key

QMRMNHDCVOQSGK-UHFFFAOYSA-N

Formula

C15H22

SMILES

CC12CC3C4CC5CC3C(C1)C(C5)C4C2

Molecular Weight¹

202.34

Other Names

• 4-Methylpentacyclo[7.3.1.1.(4,12).0(2,7).0(6,11)]tetra-decane(4-methyldiamantan)

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-8786.40 ± 2.00	kJ/mol	NIST
ΔfH°gas	-157.30 ± 2.40	kJ/mol	NIST
ΔfH°solid	-260.40 ± 2.00	kJ/mol	NIST
ΔfusH°	24.30	kJ/mol	Joback Calculated Property
ΔsubH°	[103.10; 103.10]	kJ/mol
ΔsubH°	103.10	kJ/mol	NIST
ΔsubH°	103.10	kJ/mol	NIST
ΔvapH°	66.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	167.910	ml/mol	McGowan Calculated Property
Pc	2295.91	kPa	Joback Calculated Property
Tboil	535.73	K	Relay (1.0) Calculated Property
Tc	807.86	K	Relay (1.0) Calculated Property
Tfus	426.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.23; 717.41]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.89010e+02
Coefficient B			2.40532e+00
Coefficient C			-2.30600e-03
Coefficient D			9.07100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.23	J/mol×K	273.00	Calculated Property
Cp,gas	313.49	J/mol×K	353.78	Calculated Property
Cp,gas	395.21	J/mol×K	434.56	Calculated Property
Cp,gas	462.27	J/mol×K	515.33	Calculated Property
Cp,gas	517.54	J/mol×K	596.11	Calculated Property
Cp,gas	563.89	J/mol×K	676.89	Calculated Property
Cp,gas	604.18	J/mol×K	757.67	Calculated Property
Cp,gas	641.28	J/mol×K	838.44	Calculated Property
Cp,gas	678.07	J/mol×K	919.22	Calculated Property
Cp,gas	717.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyldiadamantane.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.