Chemical Properties of Heptylcyclohexane (CAS 5617-41-4)

InChI

InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3

InChI Key

MSTLSCNJAHAQNU-UHFFFAOYSA-N

Formula

C13H26

SMILES

CCCCCCCC1CCCCC1

Molecular Weight¹

182.35

CAS

5617-41-4

Other Names

• 1-Cyclohexylheptane
• Cyclohexane, n-heptyl-
• Heptane, 1-cyclohexyl-
• cyclohexane, heptyl-
• n-Heptyl cyclohexane
• n-heptylcyclohexane

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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	0.4749		Relay (1.0) Calculated Property
ΔcH°liquid	[-8556.60; -8478.50]	kJ/mol
ΔcH°liquid	-8556.60 ± 1.80	kJ/mol	NIST
ΔcH°liquid	-8478.50 ± 2.30	kJ/mol	NIST
ΔfG°	83.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.00 ± 1.90	kJ/mol	NIST
ΔfH°liquid	-353.00 ± 2.30	kJ/mol	NIST
ΔfusH°	21.26	kJ/mol	Joback Calculated Property
ΔvapH°	[63.72; 64.90]	kJ/mol
ΔvapH°	63.72 ± 0.54	kJ/mol	NIST
ΔvapH°	64.90	kJ/mol	NIST
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	4.927		Crippen Calculated Property
McVol	183.170	ml/mol	McGowan Calculated Property
Pc	1956.14	kPa	Joback Calculated Property
Inp	[1316.00; 1349.58]
Inp	Outlier 1316.00		NIST
Inp	1346.00		NIST
Inp	1322.00		NIST
Inp	1343.00		NIST
Inp	1343.00		NIST
Inp	1345.00		NIST
Inp	1328.00		NIST
Inp	1335.38		NIST
Inp	1339.99		NIST
Inp	1342.75		NIST
Inp	1341.77		NIST
Inp	1346.47		NIST
Inp	1349.58		NIST
Inp	1345.00		NIST
Inp	1341.77		NIST
Inp	Outlier 1316.00		NIST
S°liquid	446.90	J/mol×K	NIST
Tboil	510.00 ± 4.00	K	NIST
Tc	709.71	K	Relay (1.0) Calculated Property
Tfus	232.00 ± 1.50	K	NIST
Ttriple	[232.80; 232.80]	K
Ttriple	232.80 ± 0.20	K	NIST
Ttriple	232.80 ± 0.20	K	NIST
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.62; 559.46]	J/mol×K	[516.59; 706.62]
Cp,gas	445.62	J/mol×K	516.59	Joback Calculated Property
Cp,gas	467.07	J/mol×K	548.26	Joback Calculated Property
Cp,gas	487.48	J/mol×K	579.93	Joback Calculated Property
Cp,gas	506.90	J/mol×K	611.60	Joback Calculated Property
Cp,gas	525.35	J/mol×K	643.28	Joback Calculated Property
Cp,gas	542.86	J/mol×K	674.95	Joback Calculated Property
Cp,gas	559.46	J/mol×K	706.62	Joback Calculated Property
Cp,liquid	[325.00; 364.00]	J/mol×K	[240.00; 300.00]
Cp,liquid	325.00	J/mol×K	240.00	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	331.00	J/mol×K	250.00	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	338.00	J/mol×K	260.00	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	345.00	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	347.00	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	351.00	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	358.00	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	363.00	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	363.20	J/mol×K	298.15	NIST
Cp,liquid	364.00	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	[0.0002167; 0.0079072]	Pa×s	[243.65; 516.59]
η	0.0079072	Pa×s	243.65	Joback Calculated Property
η	0.0027092	Pa×s	289.14	Joback Calculated Property
η	0.0012421	Pa×s	334.63	Joback Calculated Property
η	0.0006863	Pa×s	380.12	Joback Calculated Property
η	0.0004305	Pa×s	425.61	Joback Calculated Property
η	0.0002955	Pa×s	471.10	Joback Calculated Property
η	0.0002167	Pa×s	516.59	Joback Calculated Property
ΔfusH	[22.22; 22.23]	kJ/mol	[232.80; 232.80]
ΔfusH	22.22	kJ/mol	232.80	NIST
ΔfusH	22.22	kJ/mol	232.80	NIST
ΔfusH	22.23	kJ/mol	232.80	NIST
ΔfusH	22.23	kJ/mol	232.80	NIST
ρl	[754.40; 814.51]	kg/m3	[288.15; 373.15]
ρl	814.51	kg/m3	288.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	810.99	kg/m3	293.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	811.00	kg/m3	293.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	807.49	kg/m3	298.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	803.96	kg/m3	303.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	803.98	kg/m3	303.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	803.99	kg/m3	303.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	796.95	kg/m3	313.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	796.93	kg/m3	313.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	789.89	kg/m3	323.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	789.91	kg/m3	323.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	782.83	kg/m3	333.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	782.85	kg/m3	333.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	775.80	kg/m3	343.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	768.70	kg/m3	353.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	761.60	kg/m3	363.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ρl	754.40	kg/m3	373.15	Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
ΔfusS	[95.50; 95.50]	J/mol×K	[232.80; 232.80]
ΔfusS	95.50	J/mol×K	232.80	NIST
ΔfusS	95.50	J/mol×K	232.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[384.87; 540.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48678e+01
Coefficient B			-4.31770e+03
Coefficient C			-8.87370e+01
Temperature range, min.			384.87
Temperature range, max.			540.56
Pvap	1.33	kPa	384.87	Calculated Property
Pvap	2.98	kPa	402.17	Calculated Property
Pvap	6.13	kPa	419.47	Calculated Property
Pvap	11.72	kPa	436.77	Calculated Property
Pvap	21.10	kPa	454.07	Calculated Property
Pvap	36.00	kPa	471.36	Calculated Property
Pvap	58.65	kPa	488.66	Calculated Property
Pvap	91.76	kPa	505.96	Calculated Property
Pvap	138.54	kPa	523.26	Calculated Property
Pvap	202.67	kPa	540.56	Calculated Property

Similar Compounds

Find more compounds similar to Heptylcyclohexane.

Mixtures

• Dodecane + Heptylcyclohexane
• Hexadecane + Heptylcyclohexane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
• Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• 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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