Chemical Properties of Triphenylene, 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro- (CAS 1610-39-5)

InChI

InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2

InChI Key

ODHYDPYRIQKHCI-UHFFFAOYSA-N

Formula

C18H24

SMILES

C1CCc2c(c3c(c4c2CCCC4)CCCC3)C1

Molecular Weight¹

240.38

CAS

1610-39-5

Other Names

• Dodecahydrotriphenylene
• Tritetralin
• 1,2,3,4,5,6,7,8,9,10,11,12-Dodecahydrotriphenylene
• Dodecahydrotri-o-phenylene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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.
• 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
ΔcH°solid	-10319.20 ± 1.40	kJ/mol	NIST
ΔfH°gas	-97.08	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-193.90 ± 1.70	kJ/mol	NIST
ΔfusH°	19.36	kJ/mol	Joback Calculated Property
IE	[7.70; 8.60]	eV
IE	7.70 ± 0.05	eV	NIST
IE	8.60 ± 0.03	eV	NIST
logPoct/wat	4.323		Crippen Calculated Property
McVol	208.140	ml/mol	McGowan Calculated Property
Inp	386.36		NIST
Tboil	642.08	K	Relay (1.0) Calculated Property
Tfus	509.15 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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	[251.03; 738.81]	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			-1.59790e+02
Coefficient B			1.84080e+00
Coefficient C			-1.33900e-03
Coefficient D			3.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.03	J/mol×K	273.00	Calculated Property
Cp,gas	341.43	J/mol×K	353.78	Calculated Property
Cp,gas	419.85	J/mol×K	434.56	Calculated Property
Cp,gas	487.54	J/mol×K	515.33	Calculated Property
Cp,gas	545.77	J/mol×K	596.11	Calculated Property
Cp,gas	595.79	J/mol×K	676.89	Calculated Property
Cp,gas	638.84	J/mol×K	757.67	Calculated Property
Cp,gas	676.20	J/mol×K	838.44	Calculated Property
Cp,gas	709.10	J/mol×K	919.22	Calculated Property
Cp,gas	738.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012996; 0.0006028]	Pa×s	[509.15; 671.46]	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			-9.82374e+00
Coefficient B			1.61810e+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.			509.15
Temperature range, max.			671.46
η	0.0012996	Pa×s	509.15	Calculated Property
η	0.0011657	Pa×s	527.18	Calculated Property
η	0.0010532	Pa×s	545.22	Calculated Property
η	0.0009577	Pa×s	563.25	Calculated Property
η	0.0008761	Pa×s	581.29	Calculated Property
η	0.0008057	Pa×s	599.32	Calculated Property
η	0.0007446	Pa×s	617.36	Calculated Property
η	0.0006912	Pa×s	635.39	Calculated Property
η	0.0006443	Pa×s	653.42	Calculated Property
η	0.0006028	Pa×s	671.46	Calculated Property

Similar Compounds

Find more compounds similar to Triphenylene, 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-.

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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