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

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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.
• I : 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
ΔfG°	-17.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-481.56	kJ/mol	Joback Calculated Property
ΔfusH°	26.88	kJ/mol	Joback Calculated Property
ΔvapH°	59.01	kJ/mol	Joback Calculated Property
log10WS	-5.39		Crippen 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	[1784.00; 1826.00]
Inp	1784.00		NIST
Inp	1805.00		NIST
Inp	1826.00		NIST
Inp	1784.00		NIST
I	[2187.00; 2267.00]
I	2187.00		NIST
I	2227.00		NIST
I	2267.00		NIST
I	2187.00		NIST
Tboil	653.88	K	Joback Calculated Property
Tc	852.18	K	Joback Calculated Property
Tfus	336.84	K	Joback Calculated Property
Vc	0.914	m3/kmol	Joback Calculated Property

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), # 1.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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