Chemical Properties of Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 2

InChI

InChI=1S/C17H32O/c1-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(2,3)4/h14-15H,5-13H2,1-4H3

InChI Key

SCAVUHKXZBPJLH-UHFFFAOYSA-N

Formula

C17H32O

SMILES

CCCCCCC(=O)C1CCC(C(C)(C)C)CC1

Molecular Weight¹

252.44

• 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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	-450.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.88	kJ/mol	Joback Calculated Property
ΔvapH°	75.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	5.378		Crippen Calculated Property
McVol	241.100	ml/mol	McGowan Calculated Property
Pc	1483.85	kPa	Joback Calculated Property
Inp	[1826.00; 1874.00]
Inp	1826.00		NIST
Inp	1850.00		NIST
Inp	1874.00		NIST
Inp	1826.00		NIST
Ip	[2085.00; 2171.00]
Ip	2085.00		NIST
Ip	2128.00		NIST
Ip	2171.00		NIST
Ip	2085.00		NIST
Tboil	579.63	K	Relay (1.0) Calculated Property
Tc	781.29	K	Relay (1.0) Calculated Property
Tfus	328.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[329.73; 878.59]	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			-8.93450e+01
Coefficient B			1.81228e+00
Coefficient C			-1.07970e-03
Coefficient D			2.35360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.73	J/mol×K	273.00	Calculated Property
Cp,gas	427.09	J/mol×K	353.78	Calculated Property
Cp,gas	513.62	J/mol×K	434.56	Calculated Property
Cp,gas	590.06	J/mol×K	515.33	Calculated Property
Cp,gas	657.16	J/mol×K	596.11	Calculated Property
Cp,gas	715.67	J/mol×K	676.89	Calculated Property
Cp,gas	766.32	J/mol×K	757.67	Calculated Property
Cp,gas	809.86	J/mol×K	838.44	Calculated Property
Cp,gas	847.04	J/mol×K	919.22	Calculated Property
Cp,gas	878.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039961; 0.0002111]	Pa×s	[336.84; 596.71]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22748e+01
Coefficient B			2.27447e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			336.84
Temperature range, max.			596.71
η	0.0039961	Pa×s	336.84	Calculated Property
η	0.0023448	Pa×s	365.71	Calculated Property
η	0.0014875	Pa×s	394.59	Calculated Property
η	0.0010041	Pa×s	423.46	Calculated Property
η	0.0007126	Pa×s	452.34	Calculated Property
η	0.0005270	Pa×s	481.21	Calculated Property
η	0.0004033	Pa×s	510.09	Calculated Property
η	0.0003176	Pa×s	538.96	Calculated Property
η	0.0002563	Pa×s	567.84	Calculated Property
η	0.0002111	Pa×s	596.71	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 2.

Sources

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

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