Chemical Properties of decyl hydrogen phthalate (CAS 24539-60-4)

InChI

InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20)

InChI Key

FEFCILUKYGHITK-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C(=O)O

Molecular Weight¹

306.40

CAS

24539-60-4

Other Names

• 2-(Decyloxycarbonyl)benzoic acid

• 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	1.1050		Relay (1.0) Calculated Property
ΔfH°gas	-807.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.54	kJ/mol	Joback Calculated Property
ΔvapH°	117.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	4.682		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Pc	1554.90	kPa	Joback Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		NIST
Tboil	629.01	K	Relay (1.0) Calculated Property
Tc	871.06	K	Relay (1.0) Calculated Property
Tfus	346.11	K	Relay (1.0) Calculated Property
Vc	0.961	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	[789.97; 859.96]	J/mol×K	[846.83; 1052.26]
Cp,gas	789.97	J/mol×K	846.83	Joback Calculated Property
Cp,gas	804.05	J/mol×K	881.07	Joback Calculated Property
Cp,gas	817.11	J/mol×K	915.31	Joback Calculated Property
Cp,gas	829.19	J/mol×K	949.55	Joback Calculated Property
Cp,gas	840.33	J/mol×K	983.78	Joback Calculated Property
Cp,gas	850.57	J/mol×K	1018.02	Joback Calculated Property
Cp,gas	859.96	J/mol×K	1052.26	Joback Calculated Property
η	[0.0000555; 0.0004862]	Pa×s	[534.49; 846.83]
η	0.0004862	Pa×s	534.49	Joback Calculated Property
η	0.0002884	Pa×s	586.55	Joback Calculated Property
η	0.0001862	Pa×s	638.60	Joback Calculated Property
η	0.0001285	Pa×s	690.66	Joback Calculated Property
η	0.0000934	Pa×s	742.72	Joback Calculated Property
η	0.0000707	Pa×s	794.77	Joback Calculated Property
η	0.0000555	Pa×s	846.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to decyl hydrogen phthalate.

Sources

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

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