Phenanthrene, tetradecahydro- (CAS 5743-97-5)

InChI

InChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2

InChI Key

GNMCGMFNBARSIY-UHFFFAOYSA-N

Formula

C14H24

SMILES

C1CCC2C(C1)CCC1CCCCC12

Molecular Weight¹

192.34

CAS

5743-97-5

Other Names

Perhydrophenanthrene
Perhydrophenanthrene, # 1
Perhydrophenanthrene, # 2
Perhydrophenanthrene, # 3
Perhydrophenanthrene, # 4
Perhydrophenanthrene, # 6
Perhydrophenanthrene, # 7
Perhydrophenanthrene, # 8
Perhydrophenanthrene, # 9
Perhydrophenanthrene, % 5
Tetradecahydrophenanthrene

C_p,gas : Ideal gas heat capacity (J/mol×K).
C_p,liquid : Liquid phase heat capacity (J/mol×K).
C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (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).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fH°_gas	-182.27	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	16.99	kJ/mol	Joback Calculated Property
Δ_vapH°	64.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log₁₀WS	-6.27		Relay (1.0) Calculated Property
logP_oct/wat	4.393		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
P_c	2311.39	kPa	Joback Calculated Property
I_np	[1509.00; 1581.00]
I_np	1514.00		NIST
I_np	1519.00		NIST
I_np	1514.00		NIST
I_np	1539.00		NIST
I_np	1517.00		NIST
I_np	1539.00		NIST
I_np	1566.00		NIST
I_np	1534.00		NIST
I_np	1554.00		NIST
I_np	1578.00		NIST
I_np	1560.00		NIST
I_np	1581.00		NIST
I_np	1510.00		NIST
I_np	1528.00		NIST
I_np	1509.00		NIST
I_np	1528.00		NIST
I_np	1556.00		NIST
I_np	1559.00		NIST
I_np	1581.00		NIST
I_np	1543.00		NIST
I_np	1567.00		NIST
T_boil	545.06	K	Relay (1.0) Calculated Property
T_c	781.29	K	Relay (1.0) Calculated Property
T_fus	328.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[476.16; 614.43]	J/mol×K	[556.82; 789.31]

C_p,gas	476.16	J/mol×K	556.82	Joback Calculated Property
C_p,gas	503.53	J/mol×K	595.57	Joback Calculated Property
C_p,gas	529.04	J/mol×K	634.32	Joback Calculated Property
C_p,gas	552.79	J/mol×K	673.07	Joback Calculated Property
C_p,gas	574.87	J/mol×K	711.81	Joback Calculated Property
C_p,gas	595.39	J/mol×K	750.56	Joback Calculated Property
C_p,gas	614.43	J/mol×K	789.31	Joback Calculated Property
C_p,liquid	[328.00; 464.00]	J/mol×K	[310.00; 480.00]

C_p,liquid	328.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	330.10	J/mol×K	313.00	NIST
C_p,liquid	336.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	344.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	352.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	360.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	368.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	376.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	384.00	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	392.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	400.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	408.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	416.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	424.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	432.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	440.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	448.00	J/mol×K	460.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	456.00	J/mol×K	470.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,liquid	464.00	J/mol×K	480.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_p,solid	[281.20; 345.60]	J/mol×K	[298.00; 298.00]
C_p,solid	289.50	J/mol×K	298.00	NIST
C_p,solid	345.60	J/mol×K	298.00	NIST
C_p,solid	281.20	J/mol×K	298.00	NIST
η	[0.0006743; 0.0033535]	Pa×s	[279.52; 556.82]

η	0.0033535	Pa×s	279.52	Joback Calculated Property
η	0.0021234	Pa×s	325.74	Joback Calculated Property
η	0.0015062	Pa×s	371.95	Joback Calculated Property
η	0.0011526	Pa×s	418.17	Joback Calculated Property
η	0.0009303	Pa×s	464.39	Joback Calculated Property
η	0.0007806	Pa×s	510.60	Joback Calculated Property
η	0.0006743	Pa×s	556.82	Joback Calculated Property
Δ_fusH	[10.48; 11.83]	kJ/mol	[273.00; 313.00]
Δ_fusH	10.48	kJ/mol	273.00	NIST
Δ_fusH	11.83	kJ/mol	283.00	NIST
Δ_fusH	11.15	kJ/mol	313.00	NIST
Δ_vapH	55.70	kJ/mol	503.00	NIST
Δ_fusS	[35.64; 41.81]	J/mol×K	[273.00; 313.00]
Δ_fusS	38.39	J/mol×K	273.00	NIST
Δ_fusS	41.81	J/mol×K	283.00	NIST
Δ_fusS	35.64	J/mol×K	313.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.66]	kPa	[368.53; 612.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			8.03900e+00
Coefficient B			-1.02843e+03
Coefficient C			-2.35850e+02
Temperature range, min.			368.53
Temperature range, max.			612.91

P_vap	1.33	kPa	368.53	Calculated Property
P_vap	4.98	kPa	395.68	Calculated Property
P_vap	12.67	kPa	422.84	Calculated Property
P_vap	25.44	kPa	449.99	Calculated Property
P_vap	43.68	kPa	477.14	Calculated Property
P_vap	67.22	kPa	504.30	Calculated Property
P_vap	95.57	kPa	531.45	Calculated Property
P_vap	128.07	kPa	558.60	Calculated Property
P_vap	164.00	kPa	585.76	Calculated Property
P_vap	202.66	kPa	612.91	Calculated Property

Similar Compounds

Naphthalene, 1,1'-(1,2-ethanediyl)bis[decahydro-.

Perhydrophenanthrene, (4a«alpha», 4b«beta», 8a«beta», 10a«alpha»)-.

Perhydrophenanthrene, (4a«alpha», 4b«beta», 8a«alpha», 10a«beta»)-.

Perhydrophenanthrene, (4a«alpha», 4b«beta», 8a«alpha», 10a.alpha)-.

Naphthalene, 1,1'-methylenebis[decahydro-.

Tricyclo[8.4.0.0(2,7)]dodecane, isomer # 4.

Tricyclo[8.4.0.0(2,7)]dodecane, isomer # 1.

Perhydrophenanthrene, (4a«alpha», 4b«alpha», 8a«beta», 10a.beta)-.

Find more compounds similar to Phenanthrene, tetradecahydro-.

Sources

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Chemical Properties of Phenanthrene, tetradecahydro- (CAS 5743-97-5)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources