Chemical Properties of Phenylthioacetamide, N,N-bis(2-ethylhexyl)-

InChI

InChI=1S/C24H41NOS/c1-5-9-14-21(7-3)18-25(19-22(8-4)15-10-6-2)24(26)20-27-23-16-12-11-13-17-23/h11-13,16-17,21-22H,5-10,14-15,18-20H2,1-4H3

InChI Key

JBRCYLDDYZEOFI-UHFFFAOYSA-N

Formula

C24H41NOS

SMILES

CCCCC(CC)CN(CC(CC)CCCC)C(=O)CSc1ccccc1

Molecular Weight¹

391.66

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ΔfusH°	53.66	kJ/mol	Joback Calculated Property
log10WS	-6.41		Relay (1.0) Calculated Property
logPoct/wat	7.040		Crippen Calculated Property
McVol	353.160	ml/mol	McGowan Calculated Property
Pc	1042.60	kPa	Joback Calculated Property
Inp	[2706.00; 2706.00]
Inp	2706.00		NIST
Inp	2706.00		NIST
Tboil	681.73	K	Relay (1.0) Calculated Property
Tfus	281.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.66; 1193.70]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.99290e+01
Coefficient B			2.30707e+00
Coefficient C			-1.37310e-03
Coefficient D			2.99660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	493.66	J/mol×K	273.00	Calculated Property
Cp,gas	617.67	J/mol×K	353.78	Calculated Property
Cp,gas	727.92	J/mol×K	434.56	Calculated Property
Cp,gas	825.34	J/mol×K	515.33	Calculated Property
Cp,gas	910.89	J/mol×K	596.11	Calculated Property
Cp,gas	985.51	J/mol×K	676.89	Calculated Property
Cp,gas	1050.16	J/mol×K	757.67	Calculated Property
Cp,gas	1105.77	J/mol×K	838.44	Calculated Property
Cp,gas	1153.30	J/mol×K	919.22	Calculated Property
Cp,gas	1193.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenylthioacetamide, N,N-bis(2-ethylhexyl)-.

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.
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