Chemical Properties of Phthalic acid, 2-chloropropyl heptadecyl ester

InChI

InChI=1S/C28H45ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-27(30)25-20-17-18-21-26(25)28(31)33-23-24(2)29/h17-18,20-21,24H,3-16,19,22-23H2,1-2H3

InChI Key

NQUUYBWTXFVJEH-UHFFFAOYSA-N

Formula

C28H45ClO4

SMILES

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

Molecular Weight¹

481.11

• 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	1.2968		Relay (1.0) Calculated Property
ΔfH°gas	-1038.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.34	kJ/mol	Joback Calculated Property
ΔvapH°	133.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.49		Relay (1.0) Calculated Property
logPoct/wat	8.499		Crippen Calculated Property
McVol	408.740	ml/mol	McGowan Calculated Property
Pc	767.76	kPa	Joback Calculated Property
Inp	[3378.00; 3378.00]
Inp	3378.00		NIST
Inp	3378.00		NIST
Tboil	701.09	K	Relay (1.0) Calculated Property
Tc	915.45	K	Relay (1.0) Calculated Property
Tfus	301.99	K	Relay (1.0) Calculated Property
Vc	1.533	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	[1379.17; 1452.94]	J/mol×K	[1025.33; 1259.38]
Cp,gas	1379.17	J/mol×K	1025.33	Joback Calculated Property
Cp,gas	1395.81	J/mol×K	1064.34	Joback Calculated Property
Cp,gas	1410.61	J/mol×K	1103.35	Joback Calculated Property
Cp,gas	1423.65	J/mol×K	1142.36	Joback Calculated Property
Cp,gas	1435.00	J/mol×K	1181.36	Joback Calculated Property
Cp,gas	1444.74	J/mol×K	1220.37	Joback Calculated Property
Cp,gas	1452.94	J/mol×K	1259.38	Joback Calculated Property
η	[0.0000095; 0.0002785]	Pa×s	[543.84; 1025.33]
η	0.0002785	Pa×s	543.84	Joback Calculated Property
η	0.0001103	Pa×s	624.09	Joback Calculated Property
η	0.0000539	Pa×s	704.34	Joback Calculated Property
η	0.0000305	Pa×s	784.58	Joback Calculated Property
η	0.0000192	Pa×s	864.83	Joback Calculated Property
η	0.0000131	Pa×s	945.08	Joback Calculated Property
η	0.0000095	Pa×s	1025.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-chloropropyl heptadecyl 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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