Chemical Properties of Cyclohexyl isooctyl phthalate

InChI

InChI=1S/C22H32O4/c1-17(2)11-5-4-10-16-25-21(23)19-14-8-9-15-20(19)22(24)26-18-12-6-3-7-13-18/h8-9,14-15,17-18H,3-7,10-13,16H2,1-2H3

InChI Key

PQDNDGYLGVVELW-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

CC(C)CCCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1

Molecular Weight¹

360.49

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-848.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.44	kJ/mol	Joback Calculated Property
ΔvapH°	106.49	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	5.549		Crippen Calculated Property
McVol	301.100	ml/mol	McGowan Calculated Property
Pc	1283.75	kPa	Joback Calculated Property
Inp	[2446.00; 2446.00]
Inp	2446.00		NIST
Inp	2446.00		NIST
Inp	2446.00		NIST
Tboil	670.09	K	Relay (1.0) Calculated Property
Tfus	276.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[979.11; 1060.12]	J/mol×K	[870.17; 1085.64]
Cp,gas	979.11	J/mol×K	870.17	Joback Calculated Property
Cp,gas	996.57	J/mol×K	906.08	Joback Calculated Property
Cp,gas	1012.39	J/mol×K	941.99	Joback Calculated Property
Cp,gas	1026.62	J/mol×K	977.90	Joback Calculated Property
Cp,gas	1039.29	J/mol×K	1013.81	Joback Calculated Property
Cp,gas	1050.44	J/mol×K	1049.73	Joback Calculated Property
Cp,gas	1060.12	J/mol×K	1085.64	Joback Calculated Property
η	[0.0000299; 0.0009788]	Pa×s	[453.68; 870.17]
η	0.0009788	Pa×s	453.68	Joback Calculated Property
η	0.0003722	Pa×s	523.10	Joback Calculated Property
η	0.0001775	Pa×s	592.51	Joback Calculated Property
η	0.0000989	Pa×s	661.92	Joback Calculated Property
η	0.0000616	Pa×s	731.34	Joback Calculated Property
η	0.0000416	Pa×s	800.75	Joback Calculated Property
η	0.0000299	Pa×s	870.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexyl isooctyl phthalate.

Sources

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

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