Chemical Properties of Cyclohexane, 1,1'-(2-ethyl-1,3-propanediyl)bis- (CAS 54833-34-0)

InChI

InChI=1S/C17H32/c1-2-15(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h15-17H,2-14H2,1H3

InChI Key

DSIGKGGCLFGHOR-UHFFFAOYSA-N

Formula

C17H32

SMILES

CCC(CC1CCCCC1)CC1CCCCC1

Molecular Weight¹

236.44

CAS

54833-34-0

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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	0.4645		Relay (1.0) Calculated Property
ΔcH°liquid	-10230.00	kJ/mol	NIST
ΔfG°	138.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.93	kJ/mol	Joback Calculated Property
ΔvapH°	76.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-7.10		Relay (1.0) Calculated Property
logPoct/wat	5.953		Crippen Calculated Property
McVol	228.670	ml/mol	McGowan Calculated Property
Pc	1690.72	kPa	Joback Calculated Property
Tboil	[579.30; 579.30]	K
Tboil	579.30 ± 0.30	K	NIST
Tboil	579.30 ± 0.30	K	NIST
Tc	787.02	K	Relay (1.0) Calculated Property
Tfus	234.23	K	Relay (1.0) Calculated Property
Vc	0.833	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.56; 867.06]	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			-1.45457e+02
Coefficient B			1.86892e+00
Coefficient C			-1.06620e-03
Coefficient D			2.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.56	J/mol×K	273.00	Calculated Property
Cp,gas	391.57	J/mol×K	353.78	Calculated Property
Cp,gas	482.57	J/mol×K	434.56	Calculated Property
Cp,gas	563.22	J/mol×K	515.33	Calculated Property
Cp,gas	634.20	J/mol×K	596.11	Calculated Property
Cp,gas	696.15	J/mol×K	676.89	Calculated Property
Cp,gas	749.75	J/mol×K	757.67	Calculated Property
Cp,gas	795.66	J/mol×K	838.44	Calculated Property
Cp,gas	834.54	J/mol×K	919.22	Calculated Property
Cp,gas	867.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0108239; 0.0001800]	Pa×s	[281.11; 590.59]	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			-1.23433e+01
Coefficient B			2.19752e+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.			281.11
Temperature range, max.			590.59
η	0.0108239	Pa×s	281.11	Calculated Property
η	0.0046170	Pa×s	315.50	Calculated Property
η	0.0023284	Pa×s	349.88	Calculated Property
η	0.0013273	Pa×s	384.27	Calculated Property
η	0.0008298	Pa×s	418.66	Calculated Property
η	0.0005571	Pa×s	453.04	Calculated Property
η	0.0003957	Pa×s	487.43	Calculated Property
η	0.0002940	Pa×s	521.81	Calculated Property
η	0.0002266	Pa×s	556.20	Calculated Property
η	0.0001800	Pa×s	590.59	Calculated Property

Similar Compounds

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

Sources

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

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