Chemical Properties of Tricyclo[7.3.0.0(2.6)]dodecane, isomer # 3

InChI

InChI=1S/C12H20/c1-2-10-6-4-9-5-7-11(8-9)12(10)3-1/h9-12H,1-8H2

InChI Key

VDOTYUCOMJCUBP-UHFFFAOYSA-N

Formula

C12H20

SMILES

C1CC2CCC3CCC(C3)C2C1

Molecular Weight¹

164.29

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point 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	-129.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.01	kJ/mol	Joback Calculated Property
ΔvapH°	60.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	147.360	ml/mol	McGowan Calculated Property
Inp	[1307.00; 1326.00]
Inp	1307.00		NIST
Inp	1307.00		NIST
Inp	1326.00		NIST
I	[1477.00; 1508.00]
I	1477.00		NIST
I	1508.00		NIST
Tboil	507.14	K	Relay (1.0) Calculated Property
Tfus	320.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[177.31; 589.63]	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			-1.68170e+02
Coefficient B			1.54120e+00
Coefficient C			-1.09500e-03
Coefficient D			3.11600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.31	J/mol×K	273.00	Calculated Property
Cp,gas	253.82	J/mol×K	353.78	Calculated Property
Cp,gas	320.36	J/mol×K	434.56	Calculated Property
Cp,gas	377.91	J/mol×K	515.33	Calculated Property
Cp,gas	427.46	J/mol×K	596.11	Calculated Property
Cp,gas	469.98	J/mol×K	676.89	Calculated Property
Cp,gas	506.48	J/mol×K	757.67	Calculated Property
Cp,gas	537.93	J/mol×K	838.44	Calculated Property
Cp,gas	565.32	J/mol×K	919.22	Calculated Property
Cp,gas	589.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016617; 0.0009884]	Pa×s	[264.02; 508.55]	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			-7.48035e+00
Coefficient B			2.85260e+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.			264.02
Temperature range, max.			508.55
η	0.0016617	Pa×s	264.02	Calculated Property
η	0.0015024	Pa×s	291.19	Calculated Property
η	0.0013819	Pa×s	318.36	Calculated Property
η	0.0012879	Pa×s	345.53	Calculated Property
η	0.0012126	Pa×s	372.70	Calculated Property
η	0.0011512	Pa×s	399.87	Calculated Property
η	0.0011001	Pa×s	427.04	Calculated Property
η	0.0010570	Pa×s	454.21	Calculated Property
η	0.0010202	Pa×s	481.38	Calculated Property
η	0.0009884	Pa×s	508.55	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[7.3.0.0(2.6)]dodecane, isomer # 3.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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