Chemical Properties of 1,1,4,4,10,10,13,13-Octamethyl-cyclooctadecane (CAS 23014-57-5)

InChI

InChI=1S/C26H52/c1-23(2)15-11-9-12-17-25(5,6)21-22-26(7,8)18-14-10-13-16-24(3,4)20-19-23/h9-22H2,1-8H3

InChI Key

JNSFDAQIIASDIH-UHFFFAOYSA-N

Formula

C26H52

SMILES

CC1(C)CCCCCC(C)(C)CCC(C)(C)CCCCCC(C)(C)CC1

Molecular Weight¹

364.69

CAS

23014-57-5

• 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	0.4251		Relay (1.0) Calculated Property
ΔfG°	2.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-651.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.75	kJ/mol	Joback Calculated Property
ΔvapH°	97.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
logPoct/wat	9.566		Crippen Calculated Property
McVol	366.340	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Tboil	680.51	K	Relay (1.0) Calculated Property
Tc	844.45	K	Relay (1.0) Calculated Property
Tfus	[438.00; 438.00]	K
Tfus	438.00 ± 1.00	K	NIST
Tfus	438.00 ± 1.00	K	NIST
Vc	1.281	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	[20.17; 20.17]	kJ/mol	[438.00; 438.20]
ΔfusH	20.17	kJ/mol	438.00	NIST
ΔfusH	20.17	kJ/mol	438.20	NIST
ΔfusS	46.40	J/mol×K	438.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.30; 1416.41]	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			-3.29950e+02
Coefficient B			3.56896e+00
Coefficient C			-2.87900e-03
Coefficient D			1.05640e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	451.30	J/mol×K	273.00	Calculated Property
Cp,gas	619.11	J/mol×K	353.78	Calculated Property
Cp,gas	763.98	J/mol×K	434.56	Calculated Property
Cp,gas	889.26	J/mol×K	515.33	Calculated Property
Cp,gas	998.27	J/mol×K	596.11	Calculated Property
Cp,gas	1094.37	J/mol×K	676.89	Calculated Property
Cp,gas	1180.89	J/mol×K	757.67	Calculated Property
Cp,gas	1261.18	J/mol×K	838.44	Calculated Property
Cp,gas	1338.57	J/mol×K	919.22	Calculated Property
Cp,gas	1416.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,4,4,10,10,13,13-Octamethyl-cyclooctadecane.

Sources

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

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