Chemical Properties of 1,1,1-Tris(hydroxymethyl)propane, tri(heptafluorobutyrate)

InChI

InChI=1S/C18H11F21O6/c1-2-9(3-43-6(40)10(19,20)13(25,26)16(31,32)33,4-44-7(41)11(21,22)14(27,28)17(34,35)36)5-45-8(42)12(23,24)15(29,30)18(37,38)39/h2-5H2,1H3

InChI Key

IDAYENACLZKAEB-UHFFFAOYSA-N

Formula

C18H11F21O6

SMILES

CCC(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)COC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

722.24

• 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°	-4663.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-5355.06	kJ/mol	Joback Calculated Property
ΔfusH°	41.28	kJ/mol	Joback Calculated Property
ΔvapH°	53.01	kJ/mol	Joback Calculated Property
log10WS	-7.57		Crippen Calculated Property
logPoct/wat	6.511		Crippen Calculated Property
McVol	323.970	ml/mol	McGowan Calculated Property
Pc	787.71	kPa	Joback Calculated Property
Inp	[1194.00; 1194.00]
Inp	1194.00		NIST
Inp	1194.00		NIST
Tboil	792.48	K	Joback Calculated Property
Tc	976.36	K	Joback Calculated Property
Tfus	545.69	K	Joback Calculated Property
Vc	1.383	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1074.14; 1128.12]	J/mol×K	[792.48; 976.36]
Cp,gas	1074.14	J/mol×K	792.48	Joback Calculated Property
Cp,gas	1085.16	J/mol×K	823.13	Joback Calculated Property
Cp,gas	1095.18	J/mol×K	853.77	Joback Calculated Property
Cp,gas	1104.33	J/mol×K	884.42	Joback Calculated Property
Cp,gas	1112.78	J/mol×K	915.07	Joback Calculated Property
Cp,gas	1120.66	J/mol×K	945.72	Joback Calculated Property
Cp,gas	1128.12	J/mol×K	976.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1,1-Tris(hydroxymethyl)propane, tri(heptafluorobutyrate).

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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