Chemical Properties of Phthalic acid, 2-chloropropyl octadecyl ester

InChI

InChI=1S/C29H47ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28(31)26-21-18-19-22-27(26)29(32)34-24-25(2)30/h18-19,21-22,25H,3-17,20,23-24H2,1-2H3

InChI Key

OHSXFUARBDKWCO-UHFFFAOYSA-N

Formula

C29H47ClO4

SMILES

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

Molecular Weight¹

495.13

• 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	1.3321		Relay (1.0) Calculated Property
ΔfH°gas	-1059.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.93	kJ/mol	Joback Calculated Property
ΔvapH°	137.23	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.77		Relay (1.0) Calculated Property
logPoct/wat	8.889		Crippen Calculated Property
McVol	422.830	ml/mol	McGowan Calculated Property
Pc	728.49	kPa	Joback Calculated Property
Inp	[3477.00; 3477.00]
Inp	3477.00		NIST
Inp	3477.00		NIST
Tboil	707.47	K	Relay (1.0) Calculated Property
Tc	921.52	K	Relay (1.0) Calculated Property
Tfus	304.09	K	Relay (1.0) Calculated Property
Vc	1.587	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	[1441.76; 1515.22]	J/mol×K	[1048.21; 1291.14]
Cp,gas	1441.76	J/mol×K	1048.21	Joback Calculated Property
Cp,gas	1458.66	J/mol×K	1088.70	Joback Calculated Property
Cp,gas	1473.57	J/mol×K	1129.19	Joback Calculated Property
Cp,gas	1486.60	J/mol×K	1169.67	Joback Calculated Property
Cp,gas	1497.82	J/mol×K	1210.16	Joback Calculated Property
Cp,gas	1507.33	J/mol×K	1250.65	Joback Calculated Property
Cp,gas	1515.22	J/mol×K	1291.14	Joback Calculated Property
η	[0.0000080; 0.0002404]	Pa×s	[555.11; 1048.21]
η	0.0002404	Pa×s	555.11	Joback Calculated Property
η	0.0000947	Pa×s	637.29	Joback Calculated Property
η	0.0000461	Pa×s	719.48	Joback Calculated Property
η	0.0000260	Pa×s	801.66	Joback Calculated Property
η	0.0000164	Pa×s	883.84	Joback Calculated Property
η	0.0000111	Pa×s	966.03	Joback Calculated Property
η	0.0000080	Pa×s	1048.21	Joback Calculated Property

Similar Compounds

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