Chemical Properties of Phthalic acid, 2-chloropropyl pentadecyl ester

InChI

InChI=1S/C26H41ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-25(28)23-18-15-16-19-24(23)26(29)31-21-22(2)27/h15-16,18-19,22H,3-14,17,20-21H2,1-2H3

InChI Key

AUYOIZNOHPOJHZ-UHFFFAOYSA-N

Formula

C26H41ClO4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(C)Cl

Molecular Weight¹

453.06

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	1.2258		Relay (1.0) Calculated Property
ΔfH°gas	-996.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.00	kJ/mol	Joback Calculated Property
ΔvapH°	124.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.93		Relay (1.0) Calculated Property
logPoct/wat	7.719		Crippen Calculated Property
McVol	380.560	ml/mol	McGowan Calculated Property
Pc	899.10	kPa	Joback Calculated Property
Inp	[3167.00; 3167.00]
Inp	3167.00		NIST
Inp	3167.00		NIST
Tboil	688.20	K	Relay (1.0) Calculated Property
Tc	900.35	K	Relay (1.0) Calculated Property
Tfus	302.22	K	Relay (1.0) Calculated Property
Vc	1.423	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1270.07; 1345.00]	J/mol×K	[1015.51; 1244.39]
Cp,gas	1270.07	J/mol×K	1015.51	Joback Calculated Property
Cp,gas	1286.37	J/mol×K	1053.66	Joback Calculated Property
Cp,gas	1301.07	J/mol×K	1091.80	Joback Calculated Property
Cp,gas	1314.22	J/mol×K	1129.95	Joback Calculated Property
Cp,gas	1325.88	J/mol×K	1168.10	Joback Calculated Property
Cp,gas	1336.12	J/mol×K	1206.24	Joback Calculated Property
Cp,gas	1345.00	J/mol×K	1244.39	Joback Calculated Property
η	[0.0000174; 0.0002622]	Pa×s	[580.96; 1015.51]
η	0.0002622	Pa×s	580.96	Joback Calculated Property
η	0.0001298	Pa×s	653.38	Joback Calculated Property
η	0.0000739	Pa×s	725.81	Joback Calculated Property
η	0.0000466	Pa×s	798.23	Joback Calculated Property
η	0.0000317	Pa×s	870.66	Joback Calculated Property
η	0.0000229	Pa×s	943.08	Joback Calculated Property
η	0.0000174	Pa×s	1015.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-chloropropyl pentadecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.