Chemical Properties of 1,1,3,5-Tetramethylcyclohexane

InChI

InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3

InChI Key

WOJSMJIXPQLESQ-UHFFFAOYSA-N

Formula

C10H20

SMILES

CC1CC(C)CC(C)(C)C1

Molecular Weight¹

140.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	-235.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.33	kJ/mol	Joback Calculated Property
ΔvapH°	42.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	140.900	ml/mol	McGowan Calculated Property
Inp	[890.00; 898.70]
Inp	898.70		NIST
Inp	890.00		NIST
Tboil	423.66	K	Relay (1.0) Calculated Property
Tc	600.56	K	Relay (1.0) Calculated Property
Tfus	194.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[300.31; 408.21]	J/mol×K	[438.65; 643.42]
Cp,gas	300.31	J/mol×K	438.65	Joback Calculated Property
Cp,gas	321.00	J/mol×K	472.78	Joback Calculated Property
Cp,gas	340.50	J/mol×K	506.91	Joback Calculated Property
Cp,gas	358.88	J/mol×K	541.03	Joback Calculated Property
Cp,gas	376.24	J/mol×K	575.16	Joback Calculated Property
Cp,gas	392.65	J/mol×K	609.29	Joback Calculated Property
Cp,gas	408.21	J/mol×K	643.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1,3,5-Tetramethylcyclohexane.

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.
These property values are available through the Cheméo API. A free account gives you an access key.