Chemical Properties of Anthracene, 1,2,3,4-tetrahydro- (CAS 2141-42-6)

InChI

InChI=1S/C14H14/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-2,5-6,9-10H,3-4,7-8H2

InChI Key

XBDYBAVJXHJMNQ-UHFFFAOYSA-N

Formula

C14H14

SMILES

c1ccc2cc3c(cc2c1)CCCC3

Molecular Weight¹

182.26

CAS

2141-42-6

Other Names

• 1,2,3,4-tetrahydroanthracene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4483		Relay (1.0) Calculated Property
ΔfG°	323.16	kJ/mol	Joback Calculated Property
ΔfH°gas	128.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.26	kJ/mol	Joback Calculated Property
ΔvapH°	75.76	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-5.55		Relay (1.0) Calculated Property
logPoct/wat	3.719		Crippen Calculated Property
McVol	154.040	ml/mol	McGowan Calculated Property
Pc	2992.59	kPa	Joback Calculated Property
Inp	[294.67; 1760.20]
Inp	1748.70		NIST
Inp	1748.70		NIST
Inp	1731.30		NIST
Inp	1748.70		NIST
Inp	1760.20		NIST
Inp	1731.30		NIST
Inp	1748.70		NIST
Inp	1760.20		NIST
Inp	1748.70		NIST
Inp	1748.70		NIST
Inp	Outlier 294.67		NIST
Inp	1748.70		NIST
Inp	1731.30		NIST
Inp	Outlier 294.67		NIST
S°solid,1 bar	227.12	J/mol×K	NIST
Tboil	597.56	K	Relay (1.0) Calculated Property
Tc	836.96	K	Relay (1.0) Calculated Property
Tfus	363.78	K	Relay (1.0) Calculated Property
Ttriple	[373.24; 373.24]	K
Ttriple	373.24 ± 0.01	K	NIST
Ttriple	373.24 ± 0.01	K	NIST
Vc	0.578	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	247.02	J/mol×K	298.15	NIST
ΔfusH	[2.92; 19.16]	kJ/mol	[373.30; 388.00]
ΔfusH	19.16	kJ/mol	373.30	NIST
ΔfusH	2.92	kJ/mol	388.00	NIST
ΔfusH	2.92	kJ/mol	388.00	NIST
ΔfusS	[7.53; 51.33]	J/mol×K	[373.30; 388.00]
ΔfusS	51.33	J/mol×K	373.30	NIST
ΔfusS	7.53	J/mol×K	388.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.72; 501.07]	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			-1.07890e+02
Coefficient B			1.30000e+00
Coefficient C			-1.00084e-03
Coefficient D			3.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.72	J/mol×K	273.00	Calculated Property
Cp,gas	240.47	J/mol×K	353.78	Calculated Property
Cp,gas	293.46	J/mol×K	434.56	Calculated Property
Cp,gas	338.65	J/mol×K	515.33	Calculated Property
Cp,gas	377.03	J/mol×K	596.11	Calculated Property
Cp,gas	409.58	J/mol×K	676.89	Calculated Property
Cp,gas	437.28	J/mol×K	757.67	Calculated Property
Cp,gas	461.11	J/mol×K	838.44	Calculated Property
Cp,gas	482.05	J/mol×K	919.22	Calculated Property
Cp,gas	501.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018238; 0.0004531]	Pa×s	[350.36; 587.99]	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			-9.75253e+00
Coefficient B			1.20724e+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.			350.36
Temperature range, max.			587.99
η	0.0018238	Pa×s	350.36	Calculated Property
η	0.0014326	Pa×s	376.76	Calculated Property
η	0.0011614	Pa×s	403.17	Calculated Property
η	0.0009661	Pa×s	429.57	Calculated Property
η	0.0008210	Pa×s	455.97	Calculated Property
η	0.0007103	Pa×s	482.38	Calculated Property
η	0.0006238	Pa×s	508.78	Calculated Property
η	0.0005549	Pa×s	535.18	Calculated Property
η	0.0004990	Pa×s	561.59	Calculated Property
η	0.0004531	Pa×s	587.99	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 1,2,3,4-tetrahydro-.

Sources

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

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