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,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
ΔvapH	107.00	kJ/mol	507.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.82; 1397.90]	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			-8.89420e+01
Coefficient B			2.69684e+00
Coefficient C			-1.52920e-03
Coefficient D			3.19200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.82	J/mol×K	273.00	Calculated Property
Cp,gas	687.88	J/mol×K	353.78	Calculated Property
Cp,gas	820.41	J/mol×K	434.56	Calculated Property
Cp,gas	938.41	J/mol×K	515.33	Calculated Property
Cp,gas	1042.89	J/mol×K	596.11	Calculated Property
Cp,gas	1134.87	J/mol×K	676.89	Calculated Property
Cp,gas	1215.35	J/mol×K	757.67	Calculated Property
Cp,gas	1285.34	J/mol×K	838.44	Calculated Property
Cp,gas	1345.85	J/mol×K	919.22	Calculated Property
Cp,gas	1397.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0815827; 0.0000652]	Pa×s	[266.07; 717.96]	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			-1.38372e+01
Coefficient B			3.01485e+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.			266.07
Temperature range, max.			717.96
η	0.0815827	Pa×s	266.07	Calculated Property
η	0.0135014	Pa×s	316.28	Calculated Property
η	0.0036578	Pa×s	366.49	Calculated Property
η	0.0013575	Pa×s	416.70	Calculated Property
η	0.0006235	Pa×s	466.91	Calculated Property
η	0.0003331	Pa×s	517.12	Calculated Property
η	0.0001988	Pa×s	567.33	Calculated Property
η	0.0001291	Pa×s	617.54	Calculated Property
η	0.0000894	Pa×s	667.75	Calculated Property
η	0.0000652	Pa×s	717.96	Calculated Property

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.