Chemical Properties of Cyclohexane, (1-decylundecyl)- (CAS 6703-99-7)

InChI

InChI=1S/C27H54/c1-3-5-7-9-11-13-15-18-22-26(27-24-20-17-21-25-27)23-19-16-14-12-10-8-6-4-2/h26-27H,3-25H2,1-2H3

InChI Key

ZSEPDKTYQJRZIS-UHFFFAOYSA-N

Formula

C27H54

SMILES

CCCCCCCCCCC(CCCCCCCCCC)C1CCCCC1

Molecular Weight¹

378.73

CAS

6703-99-7

Other Names

• (1-Decylundecyl)cyclohexane
• 11-Cyclohexylheneicosane
• Heneicosane, 11-cyclohexyl-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9397		Relay (1.0) Calculated Property
ΔcH°liquid	[-17652.30; -17651.90]	kJ/mol
ΔcH°liquid	-17651.90 ± 7.10	kJ/mol	NIST
ΔcH°liquid	-17652.30 ± 7.10	kJ/mol	NIST
ΔfG°	198.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-530.15	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-690.70; -689.90]	kJ/mol
ΔfH°liquid	-690.70 ± 0.30	kJ/mol	NIST
ΔfH°liquid	-689.90 ± 7.20	kJ/mol	NIST
ΔfusH°	54.00	kJ/mol	Joback Calculated Property
ΔvapH°	123.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-10.05		Relay (1.0) Calculated Property
logPoct/wat	10.244		Crippen Calculated Property
McVol	380.430	ml/mol	McGowan Calculated Property
Pc	772.89	kPa	Joback Calculated Property
Tboil	652.31	K	Relay (1.0) Calculated Property
Tc	836.26	K	Relay (1.0) Calculated Property
Tfus	[265.95; 266.50]	K
Tfus	265.95 ± 0.50	K	NIST
Tfus	266.00 ± 0.70	K	NIST
Tfus	266.50 ± 0.70	K	NIST
Tfus	265.95 ± 0.40	K	NIST
Tfus	265.95 ± 0.40	K	NIST
Ttriple	294.30 ± 0.20	K	NIST
Vc	1.435	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1283.75; 1412.82]	J/mol×K	[836.47; 1025.66]
Cp,gas	1283.75	J/mol×K	836.47	Joback Calculated Property
Cp,gas	1308.53	J/mol×K	868.00	Joback Calculated Property
Cp,gas	1331.92	J/mol×K	899.53	Joback Calculated Property
Cp,gas	1353.99	J/mol×K	931.06	Joback Calculated Property
Cp,gas	1374.79	J/mol×K	962.59	Joback Calculated Property
Cp,gas	1394.38	J/mol×K	994.13	Joback Calculated Property
Cp,gas	1412.82	J/mol×K	1025.66	Joback Calculated Property
Cp,liquid	[746.30; 789.10]	J/mol×K	[270.00; 300.00]
Cp,liquid	746.30	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	752.20	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	763.80	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	778.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	787.30	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	789.10	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0000360; 0.0023926]	Pa×s	[386.43; 836.47]
η	0.0023926	Pa×s	386.43	Joback Calculated Property
η	0.0006731	Pa×s	461.44	Joback Calculated Property
η	0.0002700	Pa×s	536.44	Joback Calculated Property
η	0.0001355	Pa×s	611.45	Joback Calculated Property
η	0.0000791	Pa×s	686.46	Joback Calculated Property
η	0.0000513	Pa×s	761.46	Joback Calculated Property
η	0.0000360	Pa×s	836.47	Joback Calculated Property
ΔvapH	107.00	kJ/mol	507.00	NIST

Similar Compounds

Find more compounds similar to Cyclohexane, (1-decylundecyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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