Chemical Properties of Dibutyl benzylphosphonate (CAS 3762-27-4)

InChI

InChI=1S/C15H25O3P/c1-3-5-12-17-19(16,18-13-6-4-2)14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3

InChI Key

ARIYRPOBFJRCEU-UHFFFAOYSA-N

Formula

C15H25O3P

SMILES

CCCCOP(=O)(Cc1ccccc1)OCCCC

Molecular Weight¹

284.33

CAS

3762-27-4

Other Names

• Benzylphosphonic acid dibutyl ester
• Di-n-butyl benzylphosphonate
• Dibutoxyphosphorylmethylbenzene
• Phosphonic acid, benzyl-, dibutyl ester

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.7128		Relay (1.0) Calculated Property
ΔfG°	-183.15	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-601.02	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-3.20		Relay (1.0) Calculated Property
logPoct/wat	5.013		Crippen Calculated Property
McVol	236.520	ml/mol	McGowan Calculated Property
Pc	1773.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[1985.00; 1985.00]
Inp	1985.00		NIST
Inp	1985.00		NIST
Tboil	622.16	K	Relay (1.0) Calculated Property
Tc	795.62	K	Relay (1.0) Calculated Property
Tfus	225.35	K	Relay (1.0) Calculated Property
Vc	0.877	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Dibutyl benzylphosphonate.

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
• McGowan Method
• NIST Webbook

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