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

InChI

InChI=1S/C30H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-32-30(31)29-27-22-17-15-20-25(27)26-21-16-18-23-28(26)29/h15-18,20-23,29H,2-14,19,24H2,1H3

InChI Key

YQRZBRMWYAFGSW-UHFFFAOYSA-N

Formula

C30H42O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1c2ccccc2-c2ccccc21

Molecular Weight¹

434.66

• 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	1.1492		Relay (1.0) Calculated Property
ΔfH°gas	-489.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.46	kJ/mol	Joback Calculated Property
ΔvapH°	139.34	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.87		Relay (1.0) Calculated Property
logPoct/wat	8.823		Crippen Calculated Property
McVol	382.620	ml/mol	McGowan Calculated Property
Pc	874.80	kPa	Joback Calculated Property
Inp	[2414.00; 2414.00]
Inp	2414.00		NIST
Inp	2414.00		NIST
Tboil	733.01	K	Relay (1.0) Calculated Property
Tc	992.49	K	Relay (1.0) Calculated Property
Tfus	359.28	K	Relay (1.0) Calculated Property
Vc	1.443	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	[1311.24; 1414.42]	J/mol×K	[1005.74; 1231.31]
Cp,gas	1311.24	J/mol×K	1005.74	Joback Calculated Property
Cp,gas	1330.43	J/mol×K	1043.34	Joback Calculated Property
Cp,gas	1348.63	J/mol×K	1080.93	Joback Calculated Property
Cp,gas	1365.99	J/mol×K	1118.53	Joback Calculated Property
Cp,gas	1382.64	J/mol×K	1156.12	Joback Calculated Property
Cp,gas	1398.74	J/mol×K	1193.72	Joback Calculated Property
Cp,gas	1414.42	J/mol×K	1231.31	Joback Calculated Property
η	[0.0001256; 0.0008500]	Pa×s	[573.05; 1005.74]
η	0.0008500	Pa×s	573.05	Joback Calculated Property
η	0.0005172	Pa×s	645.16	Joback Calculated Property
η	0.0003478	Pa×s	717.28	Joback Calculated Property
η	0.0002514	Pa×s	789.39	Joback Calculated Property
η	0.0001919	Pa×s	861.51	Joback Calculated Property
η	0.0001528	Pa×s	933.62	Joback Calculated Property
η	0.0001256	Pa×s	1005.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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