Chemical Properties of Cyclohexane, 1,1'-(2-tridecyl-1,3-propanediyl)bis- (CAS 55255-74-8)

InChI

InChI=1S/C28H54/c1-2-3-4-5-6-7-8-9-10-11-14-23-28(24-26-19-15-12-16-20-26)25-27-21-17-13-18-22-27/h26-28H,2-25H2,1H3

InChI Key

YXVMXTUZMDZWJI-UHFFFAOYSA-N

Formula

C28H54

SMILES

CCCCCCCCCCCCCC(CC1CCCCC1)CC1CCCCC1

Molecular Weight¹

390.73

CAS

55255-74-8

Other Names

• 1-Cyclohexyl-2-(cyclohexylmethyl)pentadecane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_c : Critical Pressure (kPa).
• 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	0.8863		Relay (1.0) Calculated Property
ΔfG°	231.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.42	kJ/mol	Joback Calculated Property
ΔvapH°	126.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-10.18		Relay (1.0) Calculated Property
logPoct/wat	10.244		Crippen Calculated Property
McVol	383.660	ml/mol	McGowan Calculated Property
Pc	821.95	kPa	Joback Calculated Property
Tboil	692.26	K	Relay (1.0) Calculated Property
Tc	881.34	K	Relay (1.0) Calculated Property
Tfus	[274.90; 274.90]	K
Tfus	274.90 ± 2.00	K	NIST
Tfus	274.90 ± 1.00	K	NIST
Vc	1.435	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.92; 1434.56]	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			-1.55456e+02
Coefficient B			2.91392e+00
Coefficient C			-1.66460e-03
Coefficient D			3.40700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	522.92	J/mol×K	273.00	Calculated Property
Cp,gas	682.17	J/mol×K	353.78	Calculated Property
Cp,gas	824.42	J/mol×K	434.56	Calculated Property
Cp,gas	950.75	J/mol×K	515.33	Calculated Property
Cp,gas	1062.22	J/mol×K	596.11	Calculated Property
Cp,gas	1159.92	J/mol×K	676.89	Calculated Property
Cp,gas	1244.93	J/mol×K	757.67	Calculated Property
Cp,gas	1318.32	J/mol×K	838.44	Calculated Property
Cp,gas	1381.17	J/mol×K	919.22	Calculated Property
Cp,gas	1434.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1034881; 0.0000578]	Pa×s	[274.90; 756.89]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.40300e+01
Coefficient B			3.23328e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			274.90
Temperature range, max.			756.89
η	0.1034881	Pa×s	274.90	Calculated Property
η	0.0152064	Pa×s	328.45	Calculated Property
η	0.0038254	Pa×s	382.01	Calculated Property
η	0.0013512	Pa×s	435.56	Calculated Property
η	0.0005994	Pa×s	489.12	Calculated Property
η	0.0003122	Pa×s	542.67	Calculated Property
η	0.0001828	Pa×s	596.23	Calculated Property
η	0.0001169	Pa×s	649.78	Calculated Property
η	0.0000800	Pa×s	703.34	Calculated Property
η	0.0000578	Pa×s	756.89	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1'-(2-tridecyl-1,3-propanediyl)bis-.

Sources

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

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