Chemical Properties of Phenanthrene, 9,10-dihydro- (CAS 776-35-2)

InChI

InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2

InChI Key

XXPBFNVKTVJZKF-UHFFFAOYSA-N

Formula

C14H12

SMILES

c1ccc2c(c1)CCc1ccccc1-2

Molecular Weight¹

180.25

CAS

776-35-2

Other Names

• 9,10-Dihydrophenanthrene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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_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
ΔcH°solid	-7290.40 ± 1.00	kJ/mol	NIST
ΔfG°	353.12	kJ/mol	Joback Calculated Property
ΔfH°gas	[154.60; 155.10]	kJ/mol
ΔfH°gas	155.10 ± 1.60	kJ/mol	NIST
ΔfH°gas	154.60 ± 1.60	kJ/mol	NIST
ΔfH°solid	66.30 ± 1.20	kJ/mol	NIST
ΔfusH°	18.48	kJ/mol	Joback Calculated Property
ΔsubH°	88.80	kJ/mol	NIST
ΔvapH°	76.60 ± 0.10	kJ/mol	NIST
IE	[7.55; 8.19]	eV
IE	7.55 ± 0.02	eV	NIST
IE	8.08 ± 0.06	eV	NIST
IE	8.19	eV	NIST
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	3.452		Crippen Calculated Property
McVol	149.740	ml/mol	McGowan Calculated Property
Pc	3114.04	kPa	Joback Calculated Property
Inp	[286.22; 1700.30]
Inp	1666.00		NIST
Inp	1668.00		NIST
Inp	1689.30		NIST
Inp	1688.60		NIST
Inp	1673.50		NIST
Inp	1689.80		NIST
Inp	1699.50		NIST
Inp	1685.40		NIST
Inp	1700.30		NIST
Inp	1673.50		NIST
Inp	1689.80		NIST
Inp	1699.50		NIST
Inp	1689.30		NIST
Inp	1688.60		NIST
Inp	1697.00		NIST
Inp	1664.00		NIST
Inp	286.80		NIST
Inp	287.00		NIST
Inp	287.33		NIST
Inp	286.40		NIST
Inp	287.09		NIST
Inp	288.60		NIST
Inp	287.86		NIST
Inp	286.22		NIST
Inp	287.09		NIST
Inp	1697.00		NIST
Inp	286.80		NIST
S°solid,1 bar	[229.29; 229.40]	J/mol×K
S°solid,1 bar	229.29	J/mol×K	NIST
S°solid,1 bar	229.40	J/mol×K	NIST
Tboil	590.18	K	Joback Calculated Property
Tc	841.42	K	Joback Calculated Property
Tfus	[308.00; 370.00]	K
Tfus	308.00 ± 3.00	K	NIST
Tfus	370.00 ± 1.00	K	NIST
Tfus	370.00 ± 1.00	K	NIST
Ttriple	[306.51; 306.52]	K
Ttriple	306.51 ± 0.01	K	NIST
Ttriple	306.52 ± 0.00	K	NIST
Ttriple	306.52 ± 0.02	K	NIST
Vc	0.570	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.45; 434.09]	J/mol×K	[590.18; 841.42]
Cp,gas	354.45	J/mol×K	590.18	Joback Calculated Property
Cp,gas	370.70	J/mol×K	632.05	Joback Calculated Property
Cp,gas	385.58	J/mol×K	673.93	Joback Calculated Property
Cp,gas	399.22	J/mol×K	715.80	Joback Calculated Property
Cp,gas	411.76	J/mol×K	757.67	Joback Calculated Property
Cp,gas	423.34	J/mol×K	799.55	Joback Calculated Property
Cp,gas	434.09	J/mol×K	841.42	Joback Calculated Property
Cp,solid	[243.08; 243.80]	J/mol×K	[298.15; 298.15]
Cp,solid	243.08	J/mol×K	298.15	NIST
Cp,solid	243.80	J/mol×K	298.15	NIST
η	[0.0004581; 0.0016514]	Pa×s	[351.12; 590.18]
η	0.0016514	Pa×s	351.12	Joback Calculated Property
η	0.0011961	Pa×s	390.96	Joback Calculated Property
η	0.0009195	Pa×s	430.81	Joback Calculated Property
η	0.0007391	Pa×s	470.65	Joback Calculated Property
η	0.0006147	Pa×s	510.49	Joback Calculated Property
η	0.0005250	Pa×s	550.34	Joback Calculated Property
η	0.0004581	Pa×s	590.18	Joback Calculated Property
ΔfusH	[12.79; 12.80]	kJ/mol	[306.50; 306.52]
ΔfusH	12.80	kJ/mol	306.50	NIST
ΔfusH	12.80	kJ/mol	306.50	NIST
ΔfusH	12.79	kJ/mol	306.52	NIST
ΔvapH	[64.00; 72.30]	kJ/mol	[385.50; 435.00]
ΔvapH	72.30 ± 0.60	kJ/mol	385.50	NIST
ΔvapH	64.00	kJ/mol	435.00	NIST
ΔfusS	41.73	J/mol×K	306.52	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[430.96; 539.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.52938e+01
Coefficient B			-1.07767e+04
Temperature range, min.			430.96
Temperature range, max.			539.31
Pvap	1.33	kPa	430.96	Calculated Property
Pvap	2.63	kPa	443.00	Calculated Property
Pvap	5.01	kPa	455.04	Calculated Property
Pvap	9.22	kPa	467.08	Calculated Property
Pvap	16.46	kPa	479.12	Calculated Property
Pvap	28.57	kPa	491.15	Calculated Property
Pvap	48.29	kPa	503.19	Calculated Property
Pvap	79.65	kPa	515.23	Calculated Property
Pvap	128.41	kPa	527.27	Calculated Property
Pvap	202.65	kPa	539.31	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 9,10-dihydro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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