Chemical Properties of Ethanol, 2-butoxy-, phosphate (3:1) (CAS 78-51-3)

InChI

InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3

InChI Key

WTLBZVNBAKMVDP-UHFFFAOYSA-N

Formula

C18H39O7P

SMILES

CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC

Molecular Weight¹

398.47

CAS

78-51-3

Other Names

• 19040-50-7
• 2-Butoxy-ethanol phosphate (3:1)
• 2-Butoxyethanol phosphate
• 31227-66-4
• Amgard TBEP
• Ethanol, 2-butoxy-, 1,1',1''-phosphate
• KP 140
• Kronitex KP-140
• NSC 4839
• Phosflex T-bep
• Phosphoric acid, tri-(2-butoxyethyl) ester
• Phosphoric acid, tributoxyethyl ester
• Phosphoric acid, tris(2-butoxyethyl) ester
• TBEP
• Tri(2-butoxyethanol)phosphate
• Tri(2-butoxyethyl) phosphate
• Tri(butoxyethyl) phosphate
• Tributyl cellosolve phosphate
• Tris(2-butoxyethyl) phosphate
• Tris(2-butoxyethyl)ester phosphoric acid
• Tris(butoxyethyl) phosphate
• Tris-(2-butoxyethyl)fosfat

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• P_vap : Vapor 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	1.0494		Relay (1.0) Calculated Property
ΔfG°	-607.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1460.53	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-2.68		Relay (1.0) Calculated Property
logPoct/wat	4.594		Crippen Calculated Property
McVol	326.030	ml/mol	McGowan Calculated Property
Pc	1441.81	kPa	Relay (1.0-beta) Calculated Property
Inp	[397.30; 2421.00]
Inp	2363.00		NIST
Inp	2421.00		NIST
Inp	2360.00		NIST
Inp	2364.00		NIST
Inp	2363.00		NIST
Inp	2363.00		NIST
Inp	2363.00		NIST
Inp	397.30		NIST
Inp	397.30		NIST
Inp	2364.00		NIST
Tboil	664.22	K	Relay (1.0) Calculated Property
Tc	784.36	K	Relay (1.0) Calculated Property
Tfus	179.17	K	Relay (1.0) Calculated Property
Vc	1.256	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Ethanol, 2-butoxy-, phosphate (3:1).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Determination of Vapor Pressures for Organophosphate Esters
• McGowan Method
• NIST Webbook

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