Chemical Properties of 1H-Fluorene, dodecahydro- (CAS 5744-03-6)

InChI

InChI=1S/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2

InChI Key

OLWAZOBRCQWWDB-UHFFFAOYSA-N

Formula

C13H22

SMILES

C1CCC2C(C1)CC1CCCCC12

Molecular Weight¹

178.31

CAS

5744-03-6

Other Names

• Dodecahydro-1H-fluorene
• Dodecahydrofluorene
• Fluorene, dodecahydro-
• Perhydrofluorene
• Perhydrofluorene, # 1
• Perhydrofluorene, # 2
• Perhydrofluorene, # 3

• 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_fusH° : Enthalpy of fusion 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.
• I_p : Polar retention indices.
• 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.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-144.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.50	kJ/mol	Joback Calculated Property
ΔvapH°	61.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-6.06		Relay (1.0) Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2477.65	kPa	Joback Calculated Property
Inp	[1430.00; 1489.00]
Inp	1466.00		NIST
Inp	Outlier 1489.00		NIST
Inp	1430.00		NIST
Inp	1455.00		NIST
Inp	1442.00		NIST
Inp	1464.00		NIST
Inp	1447.00		NIST
Inp	1466.00		NIST
Inp	1464.00		NIST
Inp	1447.00		NIST
Ip	1632.00		NIST
Tboil	526.20	K	NIST
Tc	764.90	K	Relay (1.0) Calculated Property
Tfus	337.88	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.63; 643.00]	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			-1.74200e+02
Coefficient B			1.62660e+00
Coefficient C			-1.10300e-03
Coefficient D			2.93600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.63	J/mol×K	273.00	Calculated Property
Cp,gas	276.20	J/mol×K	353.78	Calculated Property
Cp,gas	348.45	J/mol×K	434.56	Calculated Property
Cp,gas	411.30	J/mol×K	515.33	Calculated Property
Cp,gas	465.68	J/mol×K	596.11	Calculated Property
Cp,gas	512.51	J/mol×K	676.89	Calculated Property
Cp,gas	552.73	J/mol×K	757.67	Calculated Property
Cp,gas	587.27	J/mol×K	838.44	Calculated Property
Cp,gas	617.05	J/mol×K	919.22	Calculated Property
Cp,gas	643.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024413; 0.0008423]	Pa×s	[271.77; 530.67]	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			-8.19643e+00
Coefficient B			5.92790e+02
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.			271.77
Temperature range, max.			530.67
η	0.0024413	Pa×s	271.77	Calculated Property
η	0.0019813	Pa×s	300.54	Calculated Property
η	0.0016677	Pa×s	329.30	Calculated Property
η	0.0014432	Pa×s	358.07	Calculated Property
η	0.0012760	Pa×s	386.84	Calculated Property
η	0.0011476	Pa×s	415.61	Calculated Property
η	0.0010464	Pa×s	444.37	Calculated Property
η	0.0009648	Pa×s	473.14	Calculated Property
η	0.0008980	Pa×s	501.91	Calculated Property
η	0.0008423	Pa×s	530.67	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[403.60; 542.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.23868e+01
Coefficient B			-1.04379e+04
Coefficient C			6.87170e+01
Temperature range, min.			403.60
Temperature range, max.			542.57
Pvap	1.33	kPa	403.60	Calculated Property
Pvap	2.68	kPa	419.04	Calculated Property
Pvap	5.17	kPa	434.48	Calculated Property
Pvap	9.59	kPa	449.92	Calculated Property
Pvap	17.17	kPa	465.36	Calculated Property
Pvap	29.73	kPa	480.81	Calculated Property
Pvap	49.97	kPa	496.25	Calculated Property
Pvap	81.69	kPa	511.69	Calculated Property
Pvap	130.18	kPa	527.13	Calculated Property
Pvap	202.64	kPa	542.57	Calculated Property

Similar Compounds

Find more compounds similar to 1H-Fluorene, dodecahydro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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