Chemical Properties of 1-Ethoxy-2-propanol, heptafluorobutyrate

InChI

InChI=1S/C9H11F7O3/c1-3-18-4-5(2)19-6(17)7(10,11)8(12,13)9(14,15)16/h5H,3-4H2,1-2H3

InChI Key

GMZTTYLEJJXPBU-UHFFFAOYSA-N

Formula

C9H11F7O3

SMILES

CCOCC(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

300.17

• 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	0.5367		Relay (1.0) Calculated Property
ΔfG°	-1671.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-2107.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.84	kJ/mol	Joback Calculated Property
ΔvapH°	55.93	kJ/mol	Relay (1.0) Calculated Property
IE	10.68	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	2.788		Crippen Calculated Property
McVol	163.370	ml/mol	McGowan Calculated Property
Pc	1885.44	kPa	Joback Calculated Property
Inp	[902.00; 902.00]
Inp	902.00		NIST
Inp	902.00		NIST
Tboil	409.33	K	Relay (1.0) Calculated Property
Tc	533.56	K	Relay (1.0) Calculated Property
Tfus	202.61	K	Relay (1.0) Calculated Property
Vc	0.618	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.60; 478.75]	J/mol×K	[488.79; 640.13]
Cp,gas	414.60	J/mol×K	488.79	Joback Calculated Property
Cp,gas	426.81	J/mol×K	514.01	Joback Calculated Property
Cp,gas	438.38	J/mol×K	539.24	Joback Calculated Property
Cp,gas	449.34	J/mol×K	564.46	Joback Calculated Property
Cp,gas	459.71	J/mol×K	589.68	Joback Calculated Property
Cp,gas	469.50	J/mol×K	614.90	Joback Calculated Property
Cp,gas	478.75	J/mol×K	640.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Ethoxy-2-propanol, heptafluorobutyrate.

Sources

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

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