Chemical Properties of 9H-Fluorene-9-carboxylic acid, propyl ester

InChI

InChI=1S/C17H16O2/c1-2-11-19-17(18)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3

InChI Key

TUGHJDFLHJHVQP-UHFFFAOYSA-N

Formula

C17H16O2

SMILES

CCCOC(=O)C1c2ccccc2-c2ccccc21

Molecular Weight¹

252.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	3.752		Crippen Calculated Property
McVol	199.450	ml/mol	McGowan Calculated Property
Pc	2197.95	kPa	Joback Calculated Property
Inp	[3104.00; 3104.00]
Inp	3104.00		NIST
Inp	3104.00		NIST
Tboil	643.03	K	Relay (1.0) Calculated Property
Tfus	373.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.38; 637.53]	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			-6.63680e+01
Coefficient B			1.45732e+00
Coefficient C			-1.04772e-03
Coefficient D			2.94300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.38	J/mol×K	273.00	Calculated Property
Cp,gas	331.10	J/mol×K	353.78	Calculated Property
Cp,gas	393.22	J/mol×K	434.56	Calculated Property
Cp,gas	446.67	J/mol×K	515.33	Calculated Property
Cp,gas	492.39	J/mol×K	596.11	Calculated Property
Cp,gas	531.31	J/mol×K	676.89	Calculated Property
Cp,gas	564.35	J/mol×K	757.67	Calculated Property
Cp,gas	592.44	J/mol×K	838.44	Calculated Property
Cp,gas	616.53	J/mol×K	919.22	Calculated Property
Cp,gas	637.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017113; 0.0005781]	Pa×s	[426.54; 656.22]	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			-9.47133e+00
Coefficient B			1.32262e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			426.54
Temperature range, max.			656.22
η	0.0017113	Pa×s	426.54	Calculated Property
η	0.0014365	Pa×s	452.06	Calculated Property
η	0.0012286	Pa×s	477.58	Calculated Property
η	0.0010675	Pa×s	503.10	Calculated Property
η	0.0009403	Pa×s	528.62	Calculated Property
η	0.0008380	Pa×s	554.14	Calculated Property
η	0.0007544	Pa×s	579.66	Calculated Property
η	0.0006852	Pa×s	605.18	Calculated Property
η	0.0006272	Pa×s	630.70	Calculated Property
η	0.0005781	Pa×s	656.22	Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluorene-9-carboxylic acid, propyl ester.

Sources

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

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