Chemical Properties of 1,1,10,10-Tetramethylcyclooctadecane

InChI

InChI=1S/C22H44/c1-21(2)17-13-9-5-7-11-15-19-22(3,4)20-16-12-8-6-10-14-18-21/h5-20H2,1-4H3

InChI Key

HEYYLLOULCSVBY-UHFFFAOYSA-N

Formula

C22H44

SMILES

CC1(C)CCCCCCCCC(C)(C)CCCCCCCC1

Molecular Weight¹

308.59

• ω : Acentric Factor.
• 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_fusH : Enthalpy of fusion 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
ω	0.3097		Relay (1.0) Calculated Property
ΔfG°	-5.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.85	kJ/mol	Joback Calculated Property
ΔvapH°	84.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
logPoct/wat	8.294		Crippen Calculated Property
McVol	309.980	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Tboil	664.59	K	Relay (1.0) Calculated Property
Tc	827.33	K	Relay (1.0) Calculated Property
Tfus	[359.00; 359.00]	K
Tfus	359.00 ± 0.20	K	NIST
Tfus	359.00 ± 1.00	K	NIST
Vc	1.036	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[39.58; 39.58]	kJ/mol	[359.00; 359.20]
ΔfusH	39.58	kJ/mol	359.00	NIST
ΔfusH	39.58	kJ/mol	359.20	NIST
ΔfusS	110.00	J/mol×K	359.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.77; 1182.07]	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			-2.38210e+02
Coefficient B			2.65808e+00
Coefficient C			-1.70700e-03
Coefficient D			4.69200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.77	J/mol×K	273.00	Calculated Property
Cp,gas	509.29	J/mol×K	353.78	Calculated Property
Cp,gas	633.03	J/mol×K	434.56	Calculated Property
Cp,gas	742.47	J/mol×K	515.33	Calculated Property
Cp,gas	839.11	J/mol×K	596.11	Calculated Property
Cp,gas	924.42	J/mol×K	676.89	Calculated Property
Cp,gas	999.89	J/mol×K	757.67	Calculated Property
Cp,gas	1066.99	J/mol×K	838.44	Calculated Property
Cp,gas	1127.23	J/mol×K	919.22	Calculated Property
Cp,gas	1182.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,10,10-Tetramethylcyclooctadecane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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