Chemical Properties of 1,4-Dioxane-2-carboxylic acid, 3-phenyl, ethyl ester

InChI

InChI=1S/C13H16O4/c1-2-15-13(14)12-11(16-8-9-17-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3

InChI Key

AZBRMQHBGBXAAL-UHFFFAOYSA-N

Formula

C13H16O4

SMILES

CCOC(=O)C1OCCOC1c1ccccc1

Molecular Weight¹

236.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-218.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-549.94	kJ/mol	Joback Calculated Property
ΔfusH°	35.12	kJ/mol	Joback Calculated Property
ΔvapH°	65.10	kJ/mol	Joback Calculated Property
log10WS	-1.87		Crippen Calculated Property
logPoct/wat	1.706		Crippen Calculated Property
McVol	178.590	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[1685.00; 1685.00]
Inp	1685.00		NIST
Inp	1685.00		NIST
Tboil	668.59	K	Joback Calculated Property
Tc	902.33	K	Joback Calculated Property
Tfus	391.13	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.64; 586.56]	J/mol×K	[668.59; 902.33]
Cp,gas	499.64	J/mol×K	668.59	Joback Calculated Property
Cp,gas	517.35	J/mol×K	707.55	Joback Calculated Property
Cp,gas	533.74	J/mol×K	746.50	Joback Calculated Property
Cp,gas	548.83	J/mol×K	785.46	Joback Calculated Property
Cp,gas	562.65	J/mol×K	824.42	Joback Calculated Property
Cp,gas	575.22	J/mol×K	863.37	Joback Calculated Property
Cp,gas	586.56	J/mol×K	902.33	Joback Calculated Property
η	[0.0001843; 0.0020413]	Pa×s	[391.13; 668.59]
η	0.0020413	Pa×s	391.13	Joback Calculated Property
η	0.0011061	Pa×s	437.37	Joback Calculated Property
η	0.0006739	Pa×s	483.62	Joback Calculated Property
η	0.0004477	Pa×s	529.86	Joback Calculated Property
η	0.0003176	Pa×s	576.10	Joback Calculated Property
η	0.0002371	Pa×s	622.35	Joback Calculated Property
η	0.0001843	Pa×s	668.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dioxane-2-carboxylic acid, 3-phenyl, ethyl ester.

Sources

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

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