Chemical Properties of Phenanthrene, 1,2,3,4-tetrahydro- (CAS 1013-08-7)

InChI

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

InChI Key

UXNCDAQNSQBHEN-UHFFFAOYSA-N

Formula

C14H14

SMILES

c1ccc2c3c(ccc2c1)CCCC3

Molecular Weight¹

182.26

CAS

1013-08-7

Other Names

• 1,2,3,4-Tetrahydrophenanthrene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4376		Relay (1.0) Calculated Property
ΔfG°	323.16	kJ/mol	Joback Calculated Property
ΔfH°gas	92.30 ± 1.30	kJ/mol	NIST
ΔfusH°	17.26	kJ/mol	Joback Calculated Property
ΔvapH°	76.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.88	eV	Relay (1.0) Calculated Property
log10WS	-5.04		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	[296.00; 1772.00]
Inp	1737.60		NIST
Inp	1755.20		NIST
Inp	1767.70		NIST
Inp	1737.60		NIST
Inp	1755.20		NIST
Inp	1767.70		NIST
Inp	1772.00		NIST
Inp	297.21		NIST
Inp	296.00		NIST
Inp	297.21		NIST
Inp	1772.00		NIST
Inp	1737.60		NIST
Inp	1767.70		NIST
S°liquid	286.60	J/mol×K	NIST
Tboil	593.60	K	Relay (1.0) Calculated Property
Tc	841.46	K	Relay (1.0) Calculated Property
Tfus	287.04	K	Relay (1.0) Calculated Property
Ttriple	[302.55; 302.56]	K
Ttriple	302.55 ± 0.01	K	NIST
Ttriple	302.56 ± 0.01	K	NIST
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	278.26	J/mol×K	298.15	NIST
ΔfusH	[1.77; 11.17]	kJ/mol	[285.00; 302.60]
ΔfusH	5.83	kJ/mol	285.00	NIST
ΔfusH	1.77	kJ/mol	298.00	NIST
ΔfusH	11.17	kJ/mol	302.60	NIST
ΔfusS	[5.92; 36.91]	J/mol×K	[285.00; 302.60]
ΔfusS	20.44	J/mol×K	285.00	NIST
ΔfusS	5.92	J/mol×K	298.00	NIST
ΔfusS	36.91	J/mol×K	302.60	NIST

Pressure Dependent Properties

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
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 Phenanthrene, 1,2,3,4-tetrahydro-.

Sources

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

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