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

InChI

InChI=1S/C32H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-34-32(33)31-29-24-19-17-22-27(29)28-23-18-20-25-30(28)31/h17-20,22-25,31H,2-16,21,26H2,1H3

InChI Key

MZYGBBQFBONXOA-UHFFFAOYSA-N

Formula

C32H46O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1c2ccccc2-c2ccccc21

Molecular Weight¹

462.71

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.2220		Relay (1.0) Calculated Property
ΔfH°gas	-531.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.64	kJ/mol	Joback Calculated Property
ΔvapH°	147.76	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.41		Relay (1.0) Calculated Property
logPoct/wat	9.604		Crippen Calculated Property
McVol	410.800	ml/mol	McGowan Calculated Property
Pc	783.31	kPa	Joback Calculated Property
Inp	[2507.00; 2507.00]
Inp	2507.00		NIST
Inp	2507.00		NIST
Tboil	745.68	K	Relay (1.0) Calculated Property
Tc	1003.59	K	Relay (1.0) Calculated Property
Tfus	360.37	K	Relay (1.0) Calculated Property
Vc	1.551	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1439.80; 1551.46]	J/mol×K	[1051.50; 1289.38]
Cp,gas	1439.80	J/mol×K	1051.50	Joback Calculated Property
Cp,gas	1460.31	J/mol×K	1091.15	Joback Calculated Property
Cp,gas	1479.82	J/mol×K	1130.79	Joback Calculated Property
Cp,gas	1498.51	J/mol×K	1170.44	Joback Calculated Property
Cp,gas	1516.56	J/mol×K	1210.08	Joback Calculated Property
Cp,gas	1534.15	J/mol×K	1249.73	Joback Calculated Property
Cp,gas	1551.46	J/mol×K	1289.38	Joback Calculated Property
η	[0.0000962; 0.0007047]	Pa×s	[595.59; 1051.50]
η	0.0007047	Pa×s	595.59	Joback Calculated Property
η	0.0004191	Pa×s	671.58	Joback Calculated Property
η	0.0002771	Pa×s	747.56	Joback Calculated Property
η	0.0001977	Pa×s	823.55	Joback Calculated Property
η	0.0001493	Pa×s	899.53	Joback Calculated Property
η	0.0001178	Pa×s	975.52	Joback Calculated Property
η	0.0000962	Pa×s	1051.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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