Chemical Properties of Phosphoric acid, dibutyl phenyl ester (CAS 2528-36-1)

InChI

InChI=1S/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

InChI Key

YICSVBJRVMLQNS-UHFFFAOYSA-N

Formula

C14H23O4P

SMILES

CCCCOP(=O)(OCCCC)Oc1ccccc1

Molecular Weight¹

286.30

CAS

2528-36-1

Other Names

• Dibutyl phenyl phosphate

• ω : Acentric Factor.
• 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.
• I : 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	0.7455		Relay (1.0) Calculated Property
ΔvapH°	90.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	4.807		Crippen Calculated Property
McVol	228.300	ml/mol	McGowan Calculated Property
Pc	1783.51	kPa	Relay (1.0-beta) Calculated Property
Inp	[1889.00; 1889.00]
Inp	1889.00		NIST
Inp	1889.00		NIST
I	[2596.00; 2596.00]
I	2596.00		NIST
I	2596.00		NIST
Tboil	599.94	K	Relay (1.0) Calculated Property
Tc	780.46	K	Relay (1.0) Calculated Property
Tfus	218.92	K	Relay (1.0) Calculated Property
Vc	0.863	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Phosphoric acid, dibutyl phenyl ester.

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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