Chemical Properties of Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester

InChI

InChI=1S/C19H21F7O4/c1-2-3-4-5-8-11-29-15(27)13-9-6-7-10-14(13)16(28)30-12-17(20,21)18(22,23)19(24,25)26/h6-7,9-10H,2-5,8,11-12H2,1H3

InChI Key

YXBOHROFXNFVJK-UHFFFAOYSA-N

Formula

C19H21F7O4

SMILES

CCCCCCCOC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

446.36

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• 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	0.9592		Relay (1.0) Calculated Property
ΔfG°	-1611.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2227.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.51	kJ/mol	Joback Calculated Property
ΔvapH°	88.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-6.95		Relay (1.0) Calculated Property
logPoct/wat	5.804		Crippen Calculated Property
McVol	282.080	ml/mol	McGowan Calculated Property
Pc	1195.65	kPa	Joback Calculated Property
Inp	[2033.00; 2033.00]
Inp	2033.00		NIST
Inp	2033.00		NIST
Tboil	607.10	K	Relay (1.0) Calculated Property
Tc	750.16	K	Relay (1.0) Calculated Property
Tfus	255.67	K	Relay (1.0) Calculated Property
Vc	1.051	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[875.80; 943.81]	J/mol×K	[803.56; 989.27]
Cp,gas	875.80	J/mol×K	803.56	Joback Calculated Property
Cp,gas	889.26	J/mol×K	834.51	Joback Calculated Property
Cp,gas	901.80	J/mol×K	865.46	Joback Calculated Property
Cp,gas	913.46	J/mol×K	896.41	Joback Calculated Property
Cp,gas	924.30	J/mol×K	927.37	Joback Calculated Property
Cp,gas	934.40	J/mol×K	958.32	Joback Calculated Property
Cp,gas	943.81	J/mol×K	989.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.