Chemical Properties of Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester

InChI

InChI=1S/C29H44F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-26(34)28(2,3)27(35)37-24-21-19-20-23(25(24)30)29(31,32)33/h19-21H,4-18,22H2,1-3H3

InChI Key

SXANZRLAHMXZJN-UHFFFAOYSA-N

Formula

C29H44F4O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

532.65

• 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).
• 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
ΔfG°	-954.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1719.84	kJ/mol	Joback Calculated Property
ΔfusH°	67.19	kJ/mol	Joback Calculated Property
ΔvapH°	96.20	kJ/mol	Joback Calculated Property
log10WS	-10.21		Crippen Calculated Property
logPoct/wat	9.191		Crippen Calculated Property
McVol	417.670	ml/mol	McGowan Calculated Property
Pc	710.73	kPa	Joback Calculated Property
Inp	[2915.00; 2915.00]
Inp	2915.00		NIST
Inp	2915.00		NIST
Tboil	1042.76	K	Joback Calculated Property
Tc	1291.54	K	Joback Calculated Property
Tfus	619.57	K	Joback Calculated Property
Vc	1.649	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1458.37; 1550.14]	J/mol×K	[1042.76; 1291.54]
Cp,gas	1458.37	J/mol×K	1042.76	Joback Calculated Property
Cp,gas	1477.20	J/mol×K	1084.22	Joback Calculated Property
Cp,gas	1494.41	J/mol×K	1125.69	Joback Calculated Property
Cp,gas	1510.16	J/mol×K	1167.15	Joback Calculated Property
Cp,gas	1524.60	J/mol×K	1208.61	Joback Calculated Property
Cp,gas	1537.88	J/mol×K	1250.08	Joback Calculated Property
Cp,gas	1550.14	J/mol×K	1291.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptadecyl ester.

Sources

• 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.