Chemical Properties of Cyclohexane, propyl- (CAS 1678-92-8)

InChI

InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChI Key

DEDZSLCZHWTGOR-UHFFFAOYSA-N

Formula

C9H18

SMILES

CCCC1CCCCC1

Molecular Weight¹

126.24

CAS

1678-92-8

Other Names

• 1-cyclohexylpropane
• Cyclohexane, n-propyl-
• n-Propylcyclohexane
• propylcyclohexane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (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).
• λ : Gas thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2580		KDB
AP	322.950	K	KDB
ΔcH°liquid	[-5876.60; -5875.80]	kJ/mol
ΔcH°liquid	-5876.60 ± 0.92	kJ/mol	NIST
ΔcH°liquid	-5875.80 ± 1.10	kJ/mol	NIST
ΔfG°	47.35	kJ/mol	KDB
Δc,grossH	5875.76	kJ/mol	KDB
Δc,netH	5479.660	kJ/mol	KDB
ΔfH°gas	[-193.40; -192.40]	kJ/mol
ΔfH°gas	-193.40	kJ/mol	KDB
ΔfH°gas	-192.40	kJ/mol	NIST
ΔfH°gas	-193.30 ± 1.30	kJ/mol	NIST
ΔfH°liquid	[-238.40; -237.50]	kJ/mol
ΔfH°liquid	-237.50 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-238.40 ± 1.30	kJ/mol	NIST
ΔfusH°	10.90	kJ/mol	Joback Calculated Property
ΔvapH°	[42.80; 45.20]	kJ/mol
ΔvapH°	45.10	kJ/mol	NIST
ΔvapH°	Outlier 42.80 ± 0.50	kJ/mol	NIST
ΔvapH°	44.70 ± 0.40	kJ/mol	NIST
ΔvapH°	44.70 ± 0.40	kJ/mol	NIST
ΔvapH°	45.20	kJ/mol	NIST
ΔvapH°	45.15	kJ/mol	NIST
ΔvapH°	45.10	kJ/mol	NIST
ΔvapH°	45.20	kJ/mol	NIST
ΔvapH°	45.08	kJ/mol	NIST
ΔvapH°	45.10	kJ/mol	NIST
IE	9.46	eV	NIST
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	[2800.00; 2860.00]	kPa
Pc	2860.00	kPa	Critical Point Measurements for Five n-Alkylcyclohexanes (C6 to C10) by the Pulse-Heating Method
Pc	2800.00	kPa	KDB
Inp	[915.00; 962.10]
Inp	938.00		NIST
Inp	951.00		NIST
Inp	926.00		NIST
Inp	Outlier 952.30		NIST
Inp	Outlier 962.10		NIST
Inp	936.00		NIST
Inp	936.40		NIST
Inp	947.00		NIST
Inp	931.00		NIST
Inp	937.00		NIST
Inp	940.00		NIST
Inp	934.00		NIST
Inp	938.00		NIST
Inp	942.00		NIST
Inp	945.00		NIST
Inp	943.00		NIST
Inp	946.00		NIST
Inp	948.00		NIST
Inp	950.00		NIST
Inp	952.00		NIST
Inp	944.00		NIST
Inp	932.00		NIST
Inp	925.00		NIST
Inp	928.00		NIST
Inp	930.00		NIST
Inp	933.00		NIST
Inp	937.00		NIST
Inp	925.00		NIST
Inp	944.00		NIST
Inp	931.00		NIST
Inp	944.00		NIST
Inp	925.00		NIST
Inp	926.00		NIST
Inp	923.00		NIST
Inp	931.00		NIST
Inp	935.00		NIST
Inp	923.00		NIST
Inp	950.00		NIST
Inp	928.00		NIST
Inp	938.00		NIST
Inp	934.00		NIST
Inp	941.00		NIST
Inp	930.50		NIST
Inp	927.10		NIST
Inp	926.40		NIST
Inp	924.20		NIST
Inp	927.10		NIST
Inp	929.10		NIST
Inp	936.40		NIST
Inp	926.40		NIST
Inp	916.00		NIST
Inp	924.20		NIST
Inp	927.10		NIST
Inp	929.10		NIST
Inp	927.10		NIST
Inp	926.40		NIST
Inp	925.22		NIST
Inp	920.09		NIST
Inp	923.67		NIST
Inp	925.93		NIST
Inp	925.46		NIST
Inp	929.15		NIST
Inp	931.59		NIST
Inp	923.00		NIST
Inp	933.00		NIST
Inp	950.33		NIST
Inp	927.00		NIST
Inp	936.00		NIST
Inp	935.00		NIST
Inp	930.00		NIST
Inp	944.00		NIST
Inp	938.00		NIST
Inp	939.00		NIST
Inp	922.00		NIST
Inp	915.00		NIST
Inp	931.00		NIST
Inp	937.00		NIST
Inp	937.00		NIST
Inp	933.00		NIST
Inp	921.00		NIST
Inp	923.00		NIST
Inp	935.00		NIST
Inp	922.00		NIST
I	[982.00; 1019.00]
I	1019.00		NIST
I	998.00		NIST
I	1003.00		NIST
I	1008.00		NIST
I	1019.00		NIST
I	982.00		NIST
I	982.00		NIST
S°gas	419.86	J/mol×K	NIST
S°liquid	311.88	J/mol×K	NIST
Tboil	[426.00; 430.30]	K
Tboil	429.90	K	KDB
Tboil	428.20	K	NIST
Tboil	Outlier 426.00 ± 3.00	K	NIST
Tboil	429.00 ± 2.00	K	NIST
Tboil	429.87 ± 0.50	K	NIST
Tboil	430.30 ± 1.00	K	NIST
Tboil	429.70 ± 1.00	K	NIST
Tboil	429.87 ± 0.03	K	NIST
Tboil	429.80 ± 0.30	K	NIST
Tboil	429.82 ± 0.30	K	NIST
Tboil	429.86 ± 0.02	K	NIST
Tboil	429.90 ± 0.40	K	NIST
Tboil	429.86 ± 0.20	K	NIST
Tboil	429.87 ± 0.20	K	NIST
Tboil	428.85 ± 0.60	K	NIST
Tboil	427.00 ± 2.50	K	NIST
Tboil	428.10 ± 0.50	K	NIST
Tboil	428.85 ± 0.60	K	NIST
Tboil	429.00 ± 2.00	K	NIST
Tboil	428.00 ± 2.00	K	NIST
Tboil	427.00 ± 2.00	K	NIST
Tboil	427.00 ± 2.00	K	NIST
Tboil	427.00 ± 3.00	K	NIST
Tboil	427.00 ± 2.00	K	NIST
Tboil	426.65 ± 1.50	K	NIST
Tc	[630.80; 639.00]	K
Tc	630.80	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc	639.00	K	KDB
Tfus	[178.06; 178.70]	K
Tfus	178.70	K	KDB
Tfus	178.09 ± 0.20	K	NIST
Tfus	178.19 ± 0.02	K	NIST
Tfus	178.06 ± 0.10	K	NIST
Ttriple	178.25 ± 0.02	K	NIST
Vc	0.472	m3/kmol	KDB
Zc	0.2490130		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.25; 353.84]	J/mol×K	[424.87; 623.81]
Cp,gas	255.25	J/mol×K	424.87	Joback Calculated Property
Cp,gas	273.81	J/mol×K	458.03	Joback Calculated Property
Cp,gas	291.49	J/mol×K	491.18	Joback Calculated Property
Cp,gas	308.31	J/mol×K	524.34	Joback Calculated Property
Cp,gas	324.30	J/mol×K	557.50	Joback Calculated Property
Cp,gas	339.46	J/mol×K	590.65	Joback Calculated Property
Cp,gas	353.84	J/mol×K	623.81	Joback Calculated Property
Cp,liquid	242.04	J/mol×K	298.15	NIST
η	[0.0002741; 0.0085410]	Pa×s	[198.57; 424.87]
η	0.0085410	Pa×s	198.57	Joback Calculated Property
η	0.0030472	Pa×s	236.29	Joback Calculated Property
η	0.0014438	Pa×s	274.00	Joback Calculated Property
η	0.0008196	Pa×s	311.72	Joback Calculated Property
η	0.0005258	Pa×s	349.44	Joback Calculated Property
η	0.0003678	Pa×s	387.15	Joback Calculated Property
η	0.0002741	Pa×s	424.87	Joback Calculated Property
ΔfusH	[10.37; 13.07]	kJ/mol	[178.00; 178.30]
ΔfusH	10.60	kJ/mol	178.00	NIST
ΔfusH	13.07	kJ/mol	178.25	NIST
ΔfusH	10.37	kJ/mol	178.30	NIST
ΔfusH	10.37	kJ/mol	178.30	NIST
ΔvapH	[36.07; 41.70]	kJ/mol	[388.50; 429.90]
ΔvapH	41.70	kJ/mol	388.50	NIST
ΔvapH	36.07	kJ/mol	429.90	KDB
n0	1.43478		298.15	KDB
ρl	[738.00; 797.42]	kg/m3	[288.15; 363.15]
ρl	797.42	kg/m3	288.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	793.00	kg/m3	293.00	KDB
ρl	793.53	kg/m3	293.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	793.54	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	790.00	kg/m3	293.15	Volume expansion prediction of supercritical CO 2 + crude oil
ρl	789.63	kg/m3	298.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	785.73	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	785.72	kg/m3	303.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	777.90	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	777.88	kg/m3	313.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	770.04	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	770.00	kg/m3	323.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	762.09	kg/m3	333.15	Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
ρl	762.12	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	754.20	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	746.10	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	738.00	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
ΔfusS	58.19	J/mol×K	178.25	NIST
γ	0.03	N/m	298.20	KDB

Datasets

Thermal conductivity, W/m/K

Fixed		Measured
Pressure, kPa - Gas	Temperature, K - Gas	Thermal conductivity, W/m/K - Gas
83.00	481.25	0.0276
83.00	481.94	0.0281
83.00	482.22	0.0282
84.00	481.45	0.0279
84.00	481.68	0.0280
88.00	453.61	0.0248
89.00	453.38	0.0247
89.00	453.87	0.0249
89.00	454.16	0.0250
90.00	454.48	0.0251
91.00	543.05	0.0361
91.00	543.18	0.0364
91.00	543.33	0.0367
91.00	543.51	0.0367
91.00	543.71	0.0367
120.00	510.63	0.0315
121.00	510.81	0.0317
121.00	511.02	0.0319
121.00	511.26	0.0319
124.00	603.12	0.0448
124.00	603.25	0.0448
125.00	603.40	0.0450
125.00	603.55	0.0448
125.00	603.73	0.0447
131.00	481.93	0.0283
131.00	482.21	0.0283
131.00	573.95	0.0403
132.00	481.23	0.0280
132.00	481.43	0.0282
132.00	481.66	0.0283
132.00	573.62	0.0403
132.00	573.78	0.0403
150.00	453.32	0.0246
150.00	453.55	0.0248
151.00	453.82	0.0249
151.00	603.10	0.0461
151.00	603.16	0.0462
151.00	603.22	0.0461
151.00	603.29	0.0461
151.00	603.36	0.0459
152.00	603.43	0.0459
152.00	603.49	0.0458
153.00	454.11	0.0250
153.00	603.56	0.0461
154.00	454.43	0.0251
154.00	603.63	0.0462
154.00	603.71	0.0463
162.00	453.23	0.0249
163.00	453.47	0.0250
163.00	453.73	0.0251
164.00	454.03	0.0251
164.00	454.35	0.0252
191.00	481.24	0.0289
192.00	481.44	0.0289
193.00	481.65	0.0290
193.00	481.89	0.0290
193.00	482.17	0.0290
213.00	511.24	0.0323
214.00	510.62	0.0318
214.00	510.81	0.0319
214.00	511.02	0.0321
222.00	543.02	0.0365
224.00	543.16	0.0370
226.00	543.32	0.0371
227.00	543.49	0.0371
228.00	543.70	0.0369
248.00	481.29	0.0288
248.00	481.48	0.0288
249.00	481.69	0.0290
250.00	481.92	0.0290
251.00	482.18	0.0291
259.00	573.47	0.0405
260.00	573.61	0.0406
261.00	573.77	0.0408
262.00	573.95	0.0408
287.00	603.17	0.0467
289.00	603.28	0.0470
290.00	603.41	0.0473
291.00	603.57	0.0472
310.00	481.26	0.0290
310.00	481.45	0.0292
310.00	481.65	0.0293
310.00	481.88	0.0295
310.00	482.13	0.0296
312.00	510.40	0.0330
312.00	510.56	0.0331
312.00	510.74	0.0332
312.00	510.96	0.0332
312.00	511.19	0.0331
320.00	543.01	0.0372
321.00	543.15	0.0376
322.00	543.31	0.0376
322.00	543.49	0.0374
322.00	543.70	0.0372
411.00	573.71	0.0420
412.00	510.73	0.0337
412.00	573.43	0.0417
412.00	573.56	0.0420
413.00	510.38	0.0340
413.00	510.55	0.0339
413.00	510.93	0.0338
413.00	511.14	0.0338
413.00	573.30	0.0416
413.00	573.86	0.0420
428.00	542.99	0.0380
428.00	543.65	0.0380
429.00	543.13	0.0383
429.00	543.28	0.0385
429.00	543.46	0.0380
502.00	603.20	0.0457
503.00	603.33	0.0460
504.00	603.46	0.0464
504.00	603.61	0.0466
508.00	510.36	0.0349
508.00	510.51	0.0348
509.00	510.68	0.0348
510.00	510.86	0.0347
511.00	511.07	0.0347
514.00	542.99	0.0387
515.00	543.11	0.0389
516.00	543.24	0.0391
517.00	543.39	0.0390
518.00	543.56	0.0391
562.00	573.29	0.0427
562.00	573.41	0.0426
563.00	573.52	0.0429
565.00	573.64	0.0433
567.00	573.77	0.0437
656.00	542.99	0.0380
656.00	543.13	0.0380
657.00	543.27	0.0382
658.00	543.42	0.0385
659.00	543.58	0.0388
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[310.03; 459.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40078e+01
Coefficient B			-3.53909e+03
Coefficient C			-5.20770e+01
Temperature range, min.			310.03
Temperature range, max.			459.04
Pvap	1.33	kPa	310.03	Calculated Property
Pvap	3.05	kPa	326.59	Calculated Property
Pvap	6.35	kPa	343.14	Calculated Property
Pvap	12.22	kPa	359.70	Calculated Property
Pvap	21.99	kPa	376.26	Calculated Property
Pvap	37.38	kPa	392.81	Calculated Property
Pvap	60.49	kPa	409.37	Calculated Property
Pvap	93.80	kPa	425.93	Calculated Property
Pvap	140.14	kPa	442.48	Calculated Property
Pvap	202.64	kPa	459.04	Calculated Property
Pvap	[8.61e-07; 2772.59]	kPa	[178.28; 639.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.62408e+01
Coefficient B			-7.87048e+03
Coefficient C			-8.90935e+00
Coefficient D			3.80979e-06
Temperature range, min.			178.28
Temperature range, max.			639.15
Pvap	8.61e-07	kPa	178.28	Calculated Property
Pvap	1.87e-03	kPa	229.49	Calculated Property
Pvap	0.18	kPa	280.70	Calculated Property
Pvap	3.42	kPa	331.90	Calculated Property
Pvap	26.07	kPa	383.11	Calculated Property
Pvap	112.69	kPa	434.32	Calculated Property
Pvap	337.75	kPa	485.53	Calculated Property
Pvap	792.32	kPa	536.73	Calculated Property
Pvap	1571.31	kPa	587.94	Calculated Property
Pvap	2772.59	kPa	639.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, propyl-.

Mixtures

• Dodecane + Cyclohexane, propyl-
• Hexadecane + Cyclohexane, propyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Volume expansion prediction of supercritical CO 2 + crude oil
• 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
• Critical Point Measurements for Five n-Alkylcyclohexanes (C6 to C10) by the Pulse-Heating Method
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Measurement and correlation of the thermal conductivity of methylcyclohexane and propylcyclohexane from 300 K to 600 K at pressures to 60 MPa
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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