Chemical Properties of Phthalic acid, 2-chloropropyl heptyl ester

InChI

InChI=1S/C18H25ClO4/c1-3-4-5-6-9-12-22-17(20)15-10-7-8-11-16(15)18(21)23-13-14(2)19/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3

InChI Key

QHECLMLQVRSDNQ-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

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

Molecular Weight¹

340.85

• 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	0.9302		Relay (1.0) Calculated Property
ΔfH°gas	-825.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.28	kJ/mol	Joback Calculated Property
ΔvapH°	93.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	4.598		Crippen Calculated Property
McVol	267.840	ml/mol	McGowan Calculated Property
Pc	1517.57	kPa	Joback Calculated Property
Inp	[2354.00; 2354.00]
Inp	2354.00		NIST
Inp	2354.00		NIST
Tboil	633.38	K	Relay (1.0) Calculated Property
Tc	843.98	K	Relay (1.0) Calculated Property
Tfus	275.90	K	Relay (1.0) Calculated Property
Vc	0.986	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	[788.94; 860.90]	J/mol×K	[832.47; 1038.76]
Cp,gas	788.94	J/mol×K	832.47	Joback Calculated Property
Cp,gas	803.61	J/mol×K	866.85	Joback Calculated Property
Cp,gas	817.18	J/mol×K	901.23	Joback Calculated Property
Cp,gas	829.67	J/mol×K	935.62	Joback Calculated Property
Cp,gas	841.11	J/mol×K	970.00	Joback Calculated Property
Cp,gas	851.52	J/mol×K	1004.38	Joback Calculated Property
Cp,gas	860.90	J/mol×K	1038.76	Joback Calculated Property
η	[0.0000577; 0.0006700]	Pa×s	[490.80; 832.47]
η	0.0006700	Pa×s	490.80	Joback Calculated Property
η	0.0003599	Pa×s	547.75	Joback Calculated Property
η	0.0002174	Pa×s	604.69	Joback Calculated Property
η	0.0001432	Pa×s	661.63	Joback Calculated Property
η	0.0001008	Pa×s	718.58	Joback Calculated Property
η	0.0000747	Pa×s	775.52	Joback Calculated Property
η	0.0000577	Pa×s	832.47	Joback Calculated Property

Similar Compounds

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