Chemical Properties of Tricyclo[8.3.0.0(4,9)]dodecane, isomer # 5

InChI

InChI=1S/C13H22/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h10-13H,1-9H2

InChI Key

DDBLMNQGXGUZOS-UHFFFAOYSA-N

Formula

C13H22

SMILES

C1CCC2C(C1)CCC1CCCC12

Molecular Weight¹

178.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-159.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.50	kJ/mol	Joback Calculated Property
ΔvapH°	65.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2477.65	kPa	Joback Calculated Property
Inp	[1461.00; 1486.00]
Inp	1461.00		NIST
Inp	1486.00		NIST
Inp	1461.00		NIST
Ip	[1718.00; 1767.00]
Ip	1767.00		NIST
Ip	1718.00		NIST
Tboil	525.42	K	Relay (1.0) Calculated Property
Tc	773.89	K	Relay (1.0) Calculated Property
Tfus	296.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.63; 643.00]	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			-1.74200e+02
Coefficient B			1.62660e+00
Coefficient C			-1.10300e-03
Coefficient D			2.93600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.63	J/mol×K	273.00	Calculated Property
Cp,gas	276.20	J/mol×K	353.78	Calculated Property
Cp,gas	348.45	J/mol×K	434.56	Calculated Property
Cp,gas	411.30	J/mol×K	515.33	Calculated Property
Cp,gas	465.68	J/mol×K	596.11	Calculated Property
Cp,gas	512.51	J/mol×K	676.89	Calculated Property
Cp,gas	552.73	J/mol×K	757.67	Calculated Property
Cp,gas	587.27	J/mol×K	838.44	Calculated Property
Cp,gas	617.05	J/mol×K	919.22	Calculated Property
Cp,gas	643.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024413; 0.0008423]	Pa×s	[271.77; 530.67]	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			-8.19643e+00
Coefficient B			5.92790e+02
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.			271.77
Temperature range, max.			530.67
η	0.0024413	Pa×s	271.77	Calculated Property
η	0.0019813	Pa×s	300.54	Calculated Property
η	0.0016677	Pa×s	329.30	Calculated Property
η	0.0014432	Pa×s	358.07	Calculated Property
η	0.0012760	Pa×s	386.84	Calculated Property
η	0.0011476	Pa×s	415.61	Calculated Property
η	0.0010464	Pa×s	444.37	Calculated Property
η	0.0009648	Pa×s	473.14	Calculated Property
η	0.0008980	Pa×s	501.91	Calculated Property
η	0.0008423	Pa×s	530.67	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[8.3.0.0(4,9)]dodecane, isomer # 5.

Sources

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

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