Chemical Properties of 1,1'-Bicycloheptyl (CAS 23183-11-1)

InChI

InChI=1S/C14H26/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h13-14H,1-12H2

InChI Key

ARUKYTASOALXFG-UHFFFAOYSA-N

Formula

C14H26

SMILES

C1CCCC(C2CCCCCC2)CC1

Molecular Weight¹

194.36

CAS

23183-11-1

Other Names

• Bicycloheptyl
• Cycloheptylcycloheptane

• 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	0.3087		Relay (1.0) Calculated Property
ΔcH°liquid	[-8942.00; -8940.00]	kJ/mol
ΔcH°liquid	-8940.00 ± 2.50	kJ/mol	NIST
ΔcH°liquid	-8942.00 ± 3.00	kJ/mol	NIST
ΔfG°	91.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.49	kJ/mol	Joback Calculated Property
ΔvapH°	66.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	4.927		Crippen Calculated Property
McVol	186.400	ml/mol	McGowan Calculated Property
Pc	2263.26	kPa	Joback Calculated Property
Tboil	549.99	K	Relay (1.0) Calculated Property
Tc	761.08	K	Relay (1.0) Calculated Property
Tfus	278.92	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.45; 715.31]	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			-1.51290e+02
Coefficient B			1.55880e+00
Coefficient C			-8.07000e-04
Coefficient D			1.14800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.45	J/mol×K	273.00	Calculated Property
Cp,gas	304.26	J/mol×K	353.78	Calculated Property
Cp,gas	383.12	J/mol×K	434.56	Calculated Property
Cp,gas	453.41	J/mol×K	515.33	Calculated Property
Cp,gas	515.48	J/mol×K	596.11	Calculated Property
Cp,gas	569.70	J/mol×K	676.89	Calculated Property
Cp,gas	616.43	J/mol×K	757.67	Calculated Property
Cp,gas	656.03	J/mol×K	838.44	Calculated Property
Cp,gas	688.87	J/mol×K	919.22	Calculated Property
Cp,gas	715.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0186792; 0.0001320]	Pa×s	[255.26; 565.54]	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			-1.30063e+01
Coefficient B			2.30396e+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.			255.26
Temperature range, max.			565.54
η	0.0186792	Pa×s	255.26	Calculated Property
η	0.0063815	Pa×s	289.74	Calculated Property
η	0.0027396	Pa×s	324.21	Calculated Property
η	0.0013837	Pa×s	358.69	Calculated Property
η	0.0007878	Pa×s	393.16	Calculated Property
η	0.0004912	Pa×s	427.64	Calculated Property
η	0.0003286	Pa×s	462.12	Calculated Property
η	0.0002325	Pa×s	496.59	Calculated Property
η	0.0001720	Pa×s	531.07	Calculated Property
η	0.0001320	Pa×s	565.54	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Bicycloheptyl.

Sources

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

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