Chemical Properties of Cyclohexane, 1,3-dimethyl-, cis- (CAS 638-04-0)

InChI

InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+

InChI Key

SGVUHPSBDNVHKL-OCAPTIKFSA-N

Formula

C8H16

SMILES

CC1CCCC(C)C1

Molecular Weight¹

112.21

CAS

638-04-0

Other Names

• 1,3-Dimethylcyclohexane, cis-
• 1,3-dimethyl(cis)-cyclohexane
• 1,cis-3-Dimethylcyclohexane
• Cyclohexane, cis-1,3-dimethyl-
• NSC 74159
• c-1,3-Dimethylcyclohexane
• cis-1,3-Dimethylcyclohexane

• 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_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).
• 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	0.2240		KDB
AP	324.850	K	KDB
ΔcH°liquid	-5211.80 ± 1.70	kJ/mol	NIST
ΔfG°	29.85	kJ/mol	KDB
Δc,grossH	5211.80	kJ/mol	KDB
Δc,netH	4859.716	kJ/mol	KDB
ΔfH°gas	-184.90	kJ/mol	KDB
ΔfusH°	9.38	kJ/mol	Joback Calculated Property
ΔvapH°	[38.10; 38.31]	kJ/mol
ΔvapH°	38.31	kJ/mol	NIST
ΔvapH°	38.10	kJ/mol	NIST
ΔvapH°	38.20	kJ/mol	NIST
ΔvapH°	38.20 ± 0.10	kJ/mol	NIST
ΔvapH°	38.22	kJ/mol	NIST
IE	9.98 ± 0.05	eV	NIST
log10WS	-4.58		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2900.00	kPa	KDB
Inp	[764.00; 804.00]
Inp	Outlier 764.00		NIST
Inp	778.40		NIST
Inp	778.50		NIST
Inp	778.60		NIST
Inp	778.10		NIST
Inp	774.90		NIST
Inp	780.30		NIST
Inp	785.00		NIST
Inp	789.80		NIST
Inp	772.00		NIST
Inp	777.00		NIST
Inp	782.00		NIST
Inp	788.00		NIST
Inp	784.70		NIST
Inp	784.70		NIST
Inp	789.60		NIST
Inp	773.30		NIST
Inp	775.50		NIST
Inp	777.90		NIST
Inp	780.20		NIST
Inp	785.10		NIST
Inp	770.00		NIST
Inp	772.00		NIST
Inp	774.00		NIST
Inp	777.00		NIST
Inp	780.00		NIST
Inp	782.00		NIST
Inp	778.40		NIST
Inp	778.60		NIST
Inp	Outlier 804.00		NIST
Inp	784.90		NIST
Inp	789.70		NIST
Inp	789.70		NIST
Inp	790.10		NIST
Inp	790.80		NIST
Inp	790.80		NIST
Inp	785.00		NIST
Inp	790.00		NIST
Inp	785.00		NIST
Inp	788.00		NIST
Inp	789.00		NIST
Inp	792.00		NIST
Inp	795.00		NIST
Inp	785.00		NIST
Inp	785.00		NIST
Inp	Outlier 798.00		NIST
Inp	783.00		NIST
Inp	789.00		NIST
Inp	770.00		NIST
Inp	Outlier 798.00		NIST
Inp	769.80		NIST
Inp	778.00		NIST
Inp	776.60		NIST
Inp	772.80		NIST
Inp	774.70		NIST
Inp	776.60		NIST
Inp	783.30		NIST
Inp	775.00		NIST
Inp	772.80		NIST
Inp	774.70		NIST
Inp	776.60		NIST
Inp	770.23		NIST
Inp	771.54		NIST
Inp	771.77		NIST
Inp	772.00		NIST
Inp	767.70		NIST
Inp	770.50		NIST
Inp	772.28		NIST
Inp	771.53		NIST
Inp	774.44		NIST
Inp	776.29		NIST
Inp	770.00		NIST
Inp	785.32		NIST
Inp	790.00		NIST
Inp	778.00		NIST
Inp	773.00		NIST
Inp	778.00		NIST
Inp	773.00		NIST
Inp	773.00		NIST
Inp	784.40		NIST
Inp	786.00		NIST
Inp	788.50		NIST
Inp	790.50		NIST
Inp	792.20		NIST
Inp	793.70		NIST
Inp	785.00		NIST
Inp	Outlier 764.00		NIST
Inp	785.32		NIST
Inp	790.00		NIST
Inp	769.80		NIST
Inp	770.00		NIST
Inp	785.00		NIST
I	[810.00; 810.00]
I	810.00		NIST
I	810.00		NIST
S°gas	371.20	J/mol×K	NIST
S°liquid	272.63	J/mol×K	NIST
Tboil	[392.15; 398.10]	K
Tboil	393.30	K	KDB
Tboil	393.20	K	NIST
Tboil	393.30	K	NIST
Tboil	393.50 ± 0.30	K	NIST
Tboil	393.70 ± 0.50	K	NIST
Tboil	393.00 ± 2.00	K	NIST
Tboil	393.56 ± 0.30	K	NIST
Tboil	393.20 ± 1.00	K	NIST
Tboil	392.15 ± 0.50	K	NIST
Tboil	393.65 ± 0.50	K	NIST
Tboil	393.85 ± 0.60	K	NIST
Tboil	393.15 ± 0.10	K	NIST
Tboil	394.15 ± 0.60	K	NIST
Tboil	393.75 ± 0.50	K	NIST
Tboil	393.23 ± 0.02	K	NIST
Tboil	393.45 ± 0.30	K	NIST
Tboil	393.24 ± 0.20	K	NIST
Tboil	Outlier 397.85 ± 0.30	K	NIST
Tboil	392.65 ± 0.50	K	NIST
Tboil	392.70 ± 2.00	K	NIST
Tboil	392.65 ± 0.50	K	NIST
Tboil	Outlier 398.10 ± 2.00	K	NIST
Tboil	393.15 ± 0.70	K	NIST
Tboil	393.55 ± 0.30	K	NIST
Tboil	394.70 ± 2.00	K	NIST
Tc	[586.10; 591.00]	K
Tc	586.10	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	591.00	K	KDB
Tc	591.00	K	NIST
Tfus	[177.95; 197.60]	K
Tfus	197.60	K	KDB
Tfus	196.09 ± 0.02	K	NIST
Tfus	177.95 ± 0.20	K	NIST
Tfus	194.15 ± 3.00	K	NIST
Ttriple	[197.58; 197.59]	K
Ttriple	197.59 ± 0.02	K	NIST
Ttriple	197.58 ± 0.05	K	NIST
Ttriple	197.59 ± 0.03	K	NIST
Ttriple	197.59 ± 0.02	K	NIST
Vc	0.449	m3/kmol	KDB
Zc	0.2649250		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.65; 307.59]	J/mol×K	[397.52; 597.97]
Cp,gas	212.65	J/mol×K	397.52	Joback Calculated Property
Cp,gas	230.39	J/mol×K	430.93	Joback Calculated Property
Cp,gas	247.35	J/mol×K	464.34	Joback Calculated Property
Cp,gas	263.53	J/mol×K	497.74	Joback Calculated Property
Cp,gas	278.96	J/mol×K	531.15	Joback Calculated Property
Cp,gas	293.64	J/mol×K	564.56	Joback Calculated Property
Cp,gas	307.59	J/mol×K	597.97	Joback Calculated Property
Cp,liquid	[173.40; 210.30]	J/mol×K	[210.00; 300.00]
Cp,liquid	173.40	J/mol×K	210.00	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	176.80	J/mol×K	220.00	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	180.30	J/mol×K	230.00	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	184.10	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	188.00	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	192.10	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	196.40	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	197.70	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	200.80	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	205.50	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	209.40	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	209.37	J/mol×K	298.15	NIST
Cp,liquid	210.30	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	[0.0002628; 0.0041986]	Pa×s	[183.06; 397.52]
η	0.0041986	Pa×s	183.06	Joback Calculated Property
η	0.0018142	Pa×s	218.80	Joback Calculated Property
η	0.0009922	Pa×s	254.55	Joback Calculated Property
η	0.0006296	Pa×s	290.29	Joback Calculated Property
η	0.0004414	Pa×s	326.03	Joback Calculated Property
η	0.0003320	Pa×s	361.78	Joback Calculated Property
η	0.0002628	Pa×s	397.52	Joback Calculated Property
ΔfusH	[10.82; 10.82]	kJ/mol	[197.59; 197.60]
ΔfusH	10.82	kJ/mol	197.59	NIST
ΔfusH	10.82	kJ/mol	197.59	NIST
ΔfusH	10.82	kJ/mol	197.60	NIST
ΔfusH	10.82	kJ/mol	197.60	NIST
ΔvapH	[32.80; 37.70]	kJ/mol	[357.00; 393.30]
ΔvapH	36.80	kJ/mol	357.00	NIST
ΔvapH	37.70	kJ/mol	357.00	NIST
ΔvapH	34.90 ± 0.10	kJ/mol	363.00	NIST
ΔvapH	33.30 ± 0.10	kJ/mol	385.00	NIST
ΔvapH	32.80	kJ/mol	393.30	KDB
ΔvapH	32.91	kJ/mol	393.30	NIST
n0	1.42063		298.15	KDB
ρl	766.00	kg/m3	293.00	KDB
ΔfusS	[54.77; 54.77]	J/mol×K	[197.59; 197.59]
ΔfusS	54.77	J/mol×K	197.59	NIST
ΔfusS	54.77	J/mol×K	197.59	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[283.11; 420.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38755e+01
Coefficient B			-3.19163e+03
Coefficient C			-4.82270e+01
Temperature range, min.			283.11
Temperature range, max.			420.90
Pvap	1.33	kPa	283.11	Calculated Property
Pvap	3.06	kPa	298.42	Calculated Property
Pvap	6.39	kPa	313.73	Calculated Property
Pvap	12.30	kPa	329.04	Calculated Property
Pvap	22.14	kPa	344.35	Calculated Property
Pvap	37.61	kPa	359.66	Calculated Property
Pvap	60.80	kPa	374.97	Calculated Property
Pvap	94.13	kPa	390.28	Calculated Property
Pvap	140.40	kPa	405.59	Calculated Property
Pvap	202.63	kPa	420.90	Calculated Property
Pvap	[5.63e-04; 2938.63]	kPa	[197.58; 591.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.27551e+01
Coefficient B			-6.92278e+03
Coefficient C			-8.58765e+00
Coefficient D			5.00269e-06
Temperature range, min.			197.58
Temperature range, max.			591.15
Pvap	5.63e-04	kPa	197.58	Calculated Property
Pvap	0.06	kPa	241.31	Calculated Property
Pvap	1.39	kPa	285.04	Calculated Property
Pvap	11.83	kPa	328.77	Calculated Property
Pvap	55.91	kPa	372.50	Calculated Property
Pvap	180.47	kPa	416.23	Calculated Property
Pvap	450.62	kPa	459.96	Calculated Property
Pvap	942.18	kPa	503.69	Calculated Property
Pvap	1739.08	kPa	547.42	Calculated Property
Pvap	2938.63	kPa	591.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,3-dimethyl-, cis-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Joback Method
• KDB
• 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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