Chemical Properties of Cycloheptanol (CAS 502-41-0)

InChI

InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2

InChI Key

QCRFMSUKWRQZEM-UHFFFAOYSA-N

Formula

C7H14O

SMILES

OC1CCCCCC1

Molecular Weight¹

114.19

CAS

502-41-0

Other Names

• Suberol

• 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).
• C_p,solid : Solid 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_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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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).
• γ : Surface Tension (N/m).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4763		Relay (1.0) Calculated Property
ΔcH°liquid	[-4429.20; -4362.00]	kJ/mol
ΔcH°liquid	-4362.00 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-4429.20	kJ/mol	NIST
ΔfG°	-116.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.71	kJ/mol	Joback Calculated Property
ΔvapH°	68.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	[-0.88; -0.88]
log10WS	-0.88		Aq. Solubility Prediction
log10WS	-0.88		Estimated Solubility
logPoct/wat	1.701		Crippen Calculated Property
McVol	104.500	ml/mol	McGowan Calculated Property
Pc	4067.32	kPa	Joback Calculated Property
Inp	[1022.00; 1040.20]
Inp	1028.00		NIST
Inp	1040.20		NIST
Inp	1022.00		NIST
Ip	[1547.00; 1566.00]
Ip	1566.00		NIST
Ip	1566.00		NIST
Ip	1547.00		NIST
Ip	1566.00		NIST
S°liquid	241.64	J/mol×K	NIST
Tboil	458.20	K	NIST
Tc	673.76	K	Relay (1.0) Calculated Property
Tfus	294.88	K	Relay (1.0) Calculated Property
Ttriple	[280.30; 280.30]	K
Ttriple	280.30 ± 0.02	K	NIST
Ttriple	280.30 ± 0.02	K	NIST

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[244.30; 250.22]	J/mol×K	[298.00; 298.15]
Cp,liquid	244.30	J/mol×K	298.00	NIST
Cp,liquid	250.22	J/mol×K	298.15	NIST
Cp,solid	[195.30; 205.40]	J/mol×K	[260.59; 271.43]
Cp,solid	195.30	J/mol×K	260.59	Heat capacities of selected cycloalcohols
Cp,solid	195.40	J/mol×K	260.73	Heat capacities of selected cycloalcohols
Cp,solid	196.40	J/mol×K	262.00	Heat capacities of selected cycloalcohols
Cp,solid	196.50	J/mol×K	262.00	Heat capacities of selected cycloalcohols
Cp,solid	198.00	J/mol×K	264.00	Heat capacities of selected cycloalcohols
Cp,solid	198.10	J/mol×K	264.00	Heat capacities of selected cycloalcohols
Cp,solid	199.80	J/mol×K	266.00	Heat capacities of selected cycloalcohols
Cp,solid	199.80	J/mol×K	266.00	Heat capacities of selected cycloalcohols
Cp,solid	201.80	J/mol×K	268.00	Heat capacities of selected cycloalcohols
Cp,solid	201.70	J/mol×K	268.00	Heat capacities of selected cycloalcohols
Cp,solid	204.00	J/mol×K	270.00	Heat capacities of selected cycloalcohols
Cp,solid	204.00	J/mol×K	270.00	Heat capacities of selected cycloalcohols
Cp,solid	205.20	J/mol×K	271.34	Heat capacities of selected cycloalcohols
Cp,solid	205.40	J/mol×K	271.43	Heat capacities of selected cycloalcohols
ΔfusH	[0.55; 2.93]	kJ/mol	[172.20; 280.30]
ΔfusH	2.93	kJ/mol	172.20	NIST
ΔfusH	0.55	kJ/mol	227.30	NIST
ΔfusH	0.88	kJ/mol	258.40	NIST
ΔfusH	1.51	kJ/mol	278.30	NIST
ΔfusH	1.60	kJ/mol	280.30	NIST
ΔfusH	1.60	kJ/mol	280.30	NIST
ΔvapH	[64.70; 67.40]	kJ/mol	[302.50; 303.50]
ΔvapH	67.40	kJ/mol	302.50	NIST
ΔvapH	64.70	kJ/mol	303.50	NIST
Pvap	[7.10e-03; 0.18]	kPa	[284.35; 320.88]
Pvap	7.10e-03	kPa	284.35	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	7.50e-03	kPa	284.67	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.01	kPa	288.22	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.02	kPa	292.50	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.02	kPa	293.72	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.02	kPa	293.73	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.02	kPa	293.86	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.03	kPa	298.23	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.03	kPa	298.28	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.03	kPa	298.44	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.04	kPa	303.37	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.06	kPa	307.00	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.07	kPa	308.15	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.08	kPa	310.11	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.12	kPa	315.14	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.16	kPa	319.51	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	0.18	kPa	320.88	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
ΔfusS	[2.44; 16.98]	J/mol×K	[172.20; 280.30]
ΔfusS	16.98	J/mol×K	172.20	NIST
ΔfusS	2.44	J/mol×K	227.30	NIST
ΔfusS	3.39	J/mol×K	258.40	NIST
ΔfusS	5.72	J/mol×K	280.30	NIST
γ	[0.02; 0.03]	N/m	[293.15; 323.15]
γ	0.03	N/m	293.15	Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol
γ	0.03	N/m	298.15	Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol
γ	0.03	N/m	303.15	Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol
γ	0.03	N/m	308.15	Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol
γ	0.03	N/m	313.15	Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol
γ	0.03	N/m	318.15	Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol
γ	0.02	N/m	323.15	Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.47; 385.99]	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			-6.89100e+01
Coefficient B			8.15300e-01
Coefficient C			-4.22000e-04
Coefficient D			6.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.47	J/mol×K	273.00	Calculated Property
Cp,gas	169.44	J/mol×K	353.78	Calculated Property
Cp,gas	210.75	J/mol×K	434.56	Calculated Property
Cp,gas	247.60	J/mol×K	515.33	Calculated Property
Cp,gas	280.19	J/mol×K	596.11	Calculated Property
Cp,gas	308.71	J/mol×K	676.89	Calculated Property
Cp,gas	333.36	J/mol×K	757.67	Calculated Property
Cp,gas	354.32	J/mol×K	838.44	Calculated Property
Cp,gas	371.80	J/mol×K	919.22	Calculated Property
Cp,gas	385.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1241815; 0.0001731]	Pa×s	[233.33; 473.21]	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			-1.50582e+01
Coefficient B			3.02679e+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.			233.33
Temperature range, max.			473.21
η	0.1241815	Pa×s	233.33	Calculated Property
η	0.0328470	Pa×s	259.98	Calculated Property
η	0.0111261	Pa×s	286.64	Calculated Property
η	0.0045309	Pa×s	313.29	Calculated Property
η	0.0021243	Pa×s	339.94	Calculated Property
η	0.0011119	Pa×s	366.60	Calculated Property
η	0.0006354	Pa×s	393.25	Calculated Property
η	0.0003898	Pa×s	419.90	Calculated Property
η	0.0002535	Pa×s	446.55	Calculated Property
η	0.0001731	Pa×s	473.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[7.65e-03; 0.21]	kPa	[284.15; 323.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			-2.66915e+01
Coefficient B			-5.85520e+03
Coefficient C			7.60167e+00
Coefficient D			-6.45886e-06
Coefficient E			0.00000e+00
Temperature range, min.			284.15
Temperature range, max.			323.15
Pvap	7.65e-03	kPa	284.15	Calculated Property
Pvap	0.01	kPa	288.48	Calculated Property
Pvap	0.02	kPa	292.82	Calculated Property
Pvap	0.03	kPa	297.15	Calculated Property
Pvap	0.04	kPa	301.48	Calculated Property
Pvap	0.05	kPa	305.82	Calculated Property
Pvap	0.08	kPa	310.15	Calculated Property
Pvap	0.11	kPa	314.48	Calculated Property
Pvap	0.15	kPa	318.82	Calculated Property
Pvap	0.21	kPa	323.15	Calculated Property

Similar Compounds

Find more compounds similar to Cycloheptanol.

Mixtures

• 1,2-Ethanediol + Cycloheptanol

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Partial molar volumes of organic solutes in water. XIX. Cyclic alcohols(aq) at T = (298 to 573) K and at pressures up to 30 MPa
• Heat capacities of selected cycloalcohols
• Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
• Surface Tensions of Dilute Solutions of Cycloheptanol in Ethylene Glycol
• Partial Molar Volumes of Cyclic Alcohols at Infinite Dilution in Water at Temperatures T ) (298 to 373) K and Pressure of 0.5 MPa
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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