Chemical Properties of Decyl pentyl phthalate

InChI

InChI=1S/C21H32O4/c1-3-5-7-8-9-13-17-25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-6-4-2/h10-11,14-15H,3-9,12-13,16-17H2,1-2H3

InChI Key

HWWDJUQKDQKXQH-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCC

Molecular Weight¹

348.48

• 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).
• IE : Ionization energy (eV).
• 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	1.0481		Relay (1.0) Calculated Property
ΔfH°gas	-838.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.54	kJ/mol	Joback Calculated Property
ΔvapH°	100.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-6.18		Relay (1.0) Calculated Property
logPoct/wat	5.551		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1182.53	kPa	Joback Calculated Property
Inp	[2602.00; 2602.00]
Inp	2602.00		NIST
Inp	2602.00		NIST
Tboil	638.82	K	Relay (1.0) Calculated Property
Tc	845.00	K	Relay (1.0) Calculated Property
Tfus	255.94	K	Relay (1.0) Calculated Property
Vc	1.132	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[923.21; 1005.17]	J/mol×K	[828.18; 1023.81]
Cp,gas	923.21	J/mol×K	828.18	Joback Calculated Property
Cp,gas	939.81	J/mol×K	860.78	Joback Calculated Property
Cp,gas	955.21	J/mol×K	893.39	Joback Calculated Property
Cp,gas	969.41	J/mol×K	925.99	Joback Calculated Property
Cp,gas	982.46	J/mol×K	958.60	Joback Calculated Property
Cp,gas	994.37	J/mol×K	991.20	Joback Calculated Property
Cp,gas	1005.17	J/mol×K	1023.81	Joback Calculated Property
η	[0.0000368; 0.0008125]	Pa×s	[450.03; 828.18]
η	0.0008125	Pa×s	450.03	Joback Calculated Property
η	0.0003534	Pa×s	513.05	Joback Calculated Property
η	0.0001845	Pa×s	576.08	Joback Calculated Property
η	0.0001094	Pa×s	639.10	Joback Calculated Property
η	0.0000713	Pa×s	702.13	Joback Calculated Property
η	0.0000499	Pa×s	765.15	Joback Calculated Property
η	0.0000368	Pa×s	828.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Decyl pentyl phthalate.

Sources

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

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