Chemical Properties of hexyl hydrogen phthalate (CAS 24539-57-9)

InChI

InChI=1S/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)

InChI Key

XOSNGXNHDRYFEF-UHFFFAOYSA-N

Formula

C14H18O4

SMILES

CCCCCCOC(=O)c1ccccc1C(=O)O

Molecular Weight¹

250.29

CAS

24539-57-9

Other Names

• 2-(Hexyloxycarbonyl)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	0.9562		Relay (1.0) Calculated Property
ΔfH°gas	-724.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.18	kJ/mol	Joback Calculated Property
ΔvapH°	102.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	3.122		Crippen Calculated Property
McVol	199.240	ml/mol	McGowan Calculated Property
Pc	2159.31	kPa	Joback Calculated Property
Inp	[2023.00; 2023.00]
Inp	2023.00		NIST
Inp	2023.00		NIST
Tboil	600.52	K	Relay (1.0) Calculated Property
Tc	838.52	K	Relay (1.0) Calculated Property
Tfus	340.40	K	Relay (1.0) Calculated Property
Vc	0.739	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	[567.22; 631.19]	J/mol×K	[755.31; 965.29]
Cp,gas	567.22	J/mol×K	755.31	Joback Calculated Property
Cp,gas	580.10	J/mol×K	790.31	Joback Calculated Property
Cp,gas	592.04	J/mol×K	825.30	Joback Calculated Property
Cp,gas	603.09	J/mol×K	860.30	Joback Calculated Property
Cp,gas	613.28	J/mol×K	895.30	Joback Calculated Property
Cp,gas	622.64	J/mol×K	930.29	Joback Calculated Property
Cp,gas	631.19	J/mol×K	965.29	Joback Calculated Property
η	[0.0000957; 0.0007013]	Pa×s	[489.41; 755.31]
η	0.0007013	Pa×s	489.41	Joback Calculated Property
η	0.0004384	Pa×s	533.73	Joback Calculated Property
η	0.0002945	Pa×s	578.04	Joback Calculated Property
η	0.0002094	Pa×s	622.36	Joback Calculated Property
η	0.0001558	Pa×s	666.68	Joback Calculated Property
η	0.0001202	Pa×s	710.99	Joback Calculated Property
η	0.0000957	Pa×s	755.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to hexyl hydrogen phthalate.

Sources

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

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