Chemical Properties of 1,4:5,8-Dimethanonaphthalene, decahydro-,(1«alpha»,4«alpha»,4a«alpha»,5«beta»,8«beta»,8a«alpha»)- (CAS 15914-95-1)

InChI

InChI=1S/C12H18/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h7-12H,1-6H2/t7-,8+,9-,10+,11-,12+

InChI Key

VSHDEZHNJCSDFY-CJXDBHJTSA-N

Formula

C12H18

SMILES

C1CC2CC1C1C3CCC(C3)C21

Molecular Weight¹

162.27

CAS

15914-95-1

• 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).
• 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	-35.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.52	kJ/mol	Joback Calculated Property
ΔvapH°	54.02	kJ/mol	Relay (1.0) Calculated Property
IE	[9.00; 9.57]	eV
IE	9.00	eV	NIST
IE	9.57 ± 0.03	eV	NIST
logPoct/wat	3.079		Crippen Calculated Property
McVol	136.500	ml/mol	McGowan Calculated Property
Tboil	495.58	K	Relay (1.0) Calculated Property
Tfus	453.89	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	[170.81; 570.69]	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			-1.97110e+02
Coefficient B			1.69440e+00
Coefficient C			-1.39900e-03
Coefficient D			4.72400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.81	J/mol×K	273.00	Calculated Property
Cp,gas	248.15	J/mol×K	353.78	Calculated Property
Cp,gas	313.78	J/mol×K	434.56	Calculated Property
Cp,gas	369.19	J/mol×K	515.33	Calculated Property
Cp,gas	415.88	J/mol×K	596.11	Calculated Property
Cp,gas	455.33	J/mol×K	676.89	Calculated Property
Cp,gas	489.04	J/mol×K	757.67	Calculated Property
Cp,gas	518.51	J/mol×K	838.44	Calculated Property
Cp,gas	545.23	J/mol×K	919.22	Calculated Property
Cp,gas	570.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006932; 0.0035107]	Pa×s	[288.28; 495.46]	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			-3.39470e+00
Coefficient B			-1.11838e+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.			288.28
Temperature range, max.			495.46
η	0.0006932	Pa×s	288.28	Calculated Property
η	0.0009235	Pa×s	311.30	Calculated Property
η	0.0011827	Pa×s	334.32	Calculated Property
η	0.0014672	Pa×s	357.34	Calculated Property
η	0.0017731	Pa×s	380.36	Calculated Property
η	0.0020971	Pa×s	403.38	Calculated Property
η	0.0024357	Pa×s	426.40	Calculated Property
η	0.0027859	Pa×s	449.42	Calculated Property
η	0.0031450	Pa×s	472.44	Calculated Property
η	0.0035107	Pa×s	495.46	Calculated Property

Similar Compounds

Find more compounds similar to 1,4:5,8-Dimethanonaphthalene, decahydro-,(1«alpha»,4«alpha»,4a«alpha»,5«beta»,8«beta»,8a«alpha»)-.

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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