Chemical Properties of 3,7-Dimethyloct-6-enyl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C17H19F5O2/c1-9(2)5-4-6-10(3)7-8-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h5,10H,4,6-8H2,1-3H3

InChI Key

QDATXLSCTYMETC-UHFFFAOYSA-N

Formula

C17H19F5O2

SMILES

CC(C)=CCCC(C)CCOC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

350.32

• 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°	-982.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1338.23	kJ/mol	Joback Calculated Property
ΔfusH°	45.44	kJ/mol	Joback Calculated Property
ΔvapH°	63.74	kJ/mol	Joback Calculated Property
log10WS	-6.75		Crippen Calculated Property
logPoct/wat	5.311		Crippen Calculated Property
McVol	238.620	ml/mol	McGowan Calculated Property
Pc	1363.65	kPa	Joback Calculated Property
Inp	[1765.00; 1765.00]
Inp	1765.00		NIST
Inp	1765.00		NIST
Tboil	716.18	K	Joback Calculated Property
Tc	894.61	K	Joback Calculated Property
Tfus	411.44	K	Joback Calculated Property
Vc	0.969	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.03; 742.64]	J/mol×K	[716.18; 894.61]
Cp,gas	669.03	J/mol×K	716.18	Joback Calculated Property
Cp,gas	683.03	J/mol×K	745.92	Joback Calculated Property
Cp,gas	696.31	J/mol×K	775.66	Joback Calculated Property
Cp,gas	708.90	J/mol×K	805.39	Joback Calculated Property
Cp,gas	720.80	J/mol×K	835.13	Joback Calculated Property
Cp,gas	732.04	J/mol×K	864.87	Joback Calculated Property
Cp,gas	742.64	J/mol×K	894.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Dimethyloct-6-enyl 2,3,4,5,6-pentafluorobenzoate.

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.