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 : 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
I	[2085.00; 2171.00]
I	2085.00		NIST
I	2128.00		NIST
I	2171.00		NIST
I	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.83; 816.61]	J/mol×K	[653.88; 852.18]
Cp,gas	699.83	J/mol×K	653.88	Joback Calculated Property
Cp,gas	722.37	J/mol×K	686.93	Joback Calculated Property
Cp,gas	743.62	J/mol×K	719.98	Joback Calculated Property
Cp,gas	763.61	J/mol×K	753.03	Joback Calculated Property
Cp,gas	782.41	J/mol×K	786.08	Joback Calculated Property
Cp,gas	800.06	J/mol×K	819.13	Joback Calculated Property
Cp,gas	816.61	J/mol×K	852.18	Joback Calculated Property
η	[0.0001513; 0.0039961]	Pa×s	[336.84; 653.88]
η	0.0039961	Pa×s	336.84	Joback Calculated Property
η	0.0015995	Pa×s	389.68	Joback Calculated Property
η	0.0007967	Pa×s	442.52	Joback Calculated Property
η	0.0004605	Pa×s	495.36	Joback Calculated Property
η	0.0002958	Pa×s	548.20	Joback Calculated Property
η	0.0002054	Pa×s	601.04	Joback Calculated Property
η	0.0001513	Pa×s	653.88	Joback 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

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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