Chemical Properties of cis,cis,trans-Bicyclo[4.4.0]decane, 2,3-dimethyl

InChI

InChI=1S/C12H22/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12+/m0/s1

InChI Key

FHEIPFHZECVFRS-WHOHXGKFSA-N

Formula

C12H22

SMILES

CC1CCC2CCCCC2C1C

Molecular Weight¹

166.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_p : 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
ΔfusH°	16.85	kJ/mol	Joback Calculated Property
ΔvapH°	56.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	158.220	ml/mol	McGowan Calculated Property
Inp	[1257.00; 1257.00]
Inp	1257.00		NIST
Inp	1257.00		NIST
Ip	[1391.00; 1391.00]
Ip	1391.00		NIST
Ip	1391.00		NIST
Tboil	495.01	K	Relay (1.0) Calculated Property
Tfus	236.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[198.12; 618.33]	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			-1.17110e+02
Coefficient B			1.35424e+00
Coefficient C			-7.73000e-04
Coefficient D			1.54200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.12	J/mol×K	273.00	Calculated Property
Cp,gas	272.07	J/mol×K	353.78	Calculated Property
Cp,gas	338.06	J/mol×K	434.56	Calculated Property
Cp,gas	396.59	J/mol×K	515.33	Calculated Property
Cp,gas	448.15	J/mol×K	596.11	Calculated Property
Cp,gas	493.21	J/mol×K	676.89	Calculated Property
Cp,gas	532.27	J/mol×K	757.67	Calculated Property
Cp,gas	565.82	J/mol×K	838.44	Calculated Property
Cp,gas	594.35	J/mol×K	919.22	Calculated Property
Cp,gas	618.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022593; 0.0004231]	Pa×s	[238.32; 497.20]	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			-9.31016e+00
Coefficient B			7.66780e+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.			238.32
Temperature range, max.			497.20
η	0.0022593	Pa×s	238.32	Calculated Property
η	0.0015976	Pa×s	267.08	Calculated Property
η	0.0012085	Pa×s	295.85	Calculated Property
η	0.0009605	Pa×s	324.61	Calculated Property
η	0.0007925	Pa×s	353.38	Calculated Property
η	0.0006731	Pa×s	382.14	Calculated Property
η	0.0005849	Pa×s	410.91	Calculated Property
η	0.0005177	Pa×s	439.67	Calculated Property
η	0.0004651	Pa×s	468.44	Calculated Property
η	0.0004231	Pa×s	497.20	Calculated Property

Similar Compounds

Find more compounds similar to cis,cis,trans-Bicyclo[4.4.0]decane, 2,3-dimethyl.

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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