Chemical Properties of Cyclopentane, 1,1-dimethyl- (CAS 1638-26-2)

InChI

InChI=1S/C7H14/c1-7(2)5-3-4-6-7/h3-6H2,1-2H3

InChI Key

QWHNJUXXYKPLQM-UHFFFAOYSA-N

Formula

C7H14

SMILES

CC1(C)CCCC1

Molecular Weight¹

98.19

CAS

1638-26-2

Other Names

• 1,1-Dimethylcyclopentane
• Gem-Dimethylcyclopentane

• 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).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• 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).
• 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.
• 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.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2730		KDB
AP	318.150	K	KDB
ΔcH°liquid	-4583.30 ± 1.00	kJ/mol	NIST
ΔfG°	39.06	kJ/mol	KDB
Δc,grossH	4583.32	kJ/mol	KDB
Δc,netH	4275.253	kJ/mol	KDB
ΔfH°gas	[-138.40; -138.30]	kJ/mol
ΔfH°gas	-138.40	kJ/mol	KDB
ΔfH°gas	-138.30 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-172.10 ± 1.10	kJ/mol	NIST
ΔfusH°	1.52	kJ/mol	Joback Calculated Property
ΔvapH°	[33.80; 33.80]	kJ/mol
ΔvapH°	33.80	kJ/mol	NIST
ΔvapH°	33.80	kJ/mol	NIST
IE	9.46 ± 0.05	eV	NIST
logPoct/wat	2.587		Crippen Calculated Property
McVol	98.630	ml/mol	McGowan Calculated Property
Pc	3440.00	kPa	KDB
Inp	[662.30; 684.00]
Inp	665.00		NIST
Inp	675.50		NIST
Inp	669.00		NIST
Inp	675.90		NIST
Inp	676.00		NIST
Inp	676.80		NIST
Inp	676.10		NIST
Inp	675.80		NIST
Inp	673.30		NIST
Inp	677.40		NIST
Inp	671.00		NIST
Inp	675.00		NIST
Inp	679.00		NIST
Inp	672.40		NIST
Inp	676.50		NIST
Inp	675.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	671.70		NIST
Inp	673.60		NIST
Inp	675.40		NIST
Inp	676.90		NIST
Inp	669.00		NIST
Inp	671.00		NIST
Inp	673.00		NIST
Inp	675.00		NIST
Inp	677.00		NIST
Inp	679.00		NIST
Inp	675.90		NIST
Inp	676.10		NIST
Inp	674.00		NIST
Inp	674.00		NIST
Inp	674.00		NIST
Inp	673.20		NIST
Inp	673.20		NIST
Inp	Outlier 684.00		NIST
Inp	675.00		NIST
Inp	679.00		NIST
Inp	674.00		NIST
Inp	677.00		NIST
Inp	672.00		NIST
Inp	674.00		NIST
Inp	675.00		NIST
Inp	677.00		NIST
Inp	680.00		NIST
Inp	674.00		NIST
Inp	672.00		NIST
Inp	Outlier 683.00		NIST
Inp	669.00		NIST
Inp	674.00		NIST
Inp	677.00		NIST
Inp	681.00		NIST
Inp	677.00		NIST
Inp	679.00		NIST
Inp	671.10		NIST
Inp	669.70		NIST
Inp	Outlier 662.30		NIST
Inp	Outlier 663.04		NIST
Inp	668.50		NIST
Inp	665.52		NIST
Inp	665.59		NIST
Inp	665.48		NIST
Inp	665.63		NIST
Inp	666.00		NIST
Inp	672.00		NIST
Inp	673.00		NIST
Inp	677.00		NIST
Inp	671.00		NIST
Inp	672.00		NIST
Inp	666.00		NIST
Inp	670.00		NIST
Inp	673.00		NIST
Inp	669.00		NIST
Inp	669.00		NIST
Inp	Outlier 683.00		NIST
Inp	673.00		NIST
Inp	665.00		NIST
Inp	675.00		NIST
Inp	679.00		NIST
Inp	669.70		NIST
Inp	665.59		NIST
Inp	669.00		NIST
Inp	665.00		NIST
Inp	676.80		NIST
Inp	671.00		NIST
Inp	675.00		NIST
Inp	675.40		NIST
Inp	674.00		NIST
Inp	Outlier 684.00		NIST
Inp	672.00		NIST
Inp	677.00		NIST
S°gas	359.28	J/mol×K	NIST
S°liquid	265.01	J/mol×K	NIST
Tboil	[360.00; 361.35]	K
Tboil	361.00	K	KDB
Tboil	360.70	K	NIST
Tboil	361.00 ± 0.20	K	NIST
Tboil	361.05 ± 0.30	K	NIST
Tboil	360.99 ± 0.02	K	NIST
Tboil	361.35 ± 0.30	K	NIST
Tboil	360.65 ± 0.20	K	NIST
Tboil	361.20 ± 0.30	K	NIST
Tboil	360.65 ± 0.50	K	NIST
Tboil	360.70 ± 0.30	K	NIST
Tboil	361.30 ± 0.60	K	NIST
Tboil	Outlier 360.00 ± 1.00	K	NIST
Tc	547.00	K	KDB
Tfus	[196.00; 203.42]	K
Tfus	203.40	K	KDB
Tfus	203.27 ± 0.20	K	NIST
Tfus	203.24 ± 0.20	K	NIST
Tfus	203.42 ± 0.06	K	NIST
Tfus	203.34 ± 0.08	K	NIST
Tfus	203.34 ± 0.07	K	NIST
Tfus	203.35 ± 0.05	K	NIST
Tfus	203.24 ± 0.30	K	NIST
Tfus	203.24 ± 0.30	K	NIST
Tfus	203.42 ± 0.10	K	NIST
Tfus	197.28 ± 4.00	K	NIST
Tfus	203.16 ± 1.00	K	NIST
Tfus	196.75 ± 0.40	K	NIST
Tfus	196.75 ± 5.00	K	NIST
Tfus	196.00 ± 5.00	K	NIST
Ttriple	[203.67; 203.68]	K
Ttriple	203.68 ± 0.05	K	NIST
Ttriple	203.67 ± 0.02	K	NIST
Ttriple	203.67 ± 0.03	K	NIST
Ttriple	203.67 ± 0.02	K	NIST
Ttriple	203.68 ± 0.05	K	NIST
Vc	0.360	m3/kmol	KDB
Zc	0.2722930		KDB
Zra	0.28		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l 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,gas	[174.34; 256.90]	J/mol×K	[375.08; 578.27]
Cp,gas	174.34	J/mol×K	375.08	Joback Calculated Property
Cp,gas	190.73	J/mol×K	408.95	Joback Calculated Property
Cp,gas	205.94	J/mol×K	442.81	Joback Calculated Property
Cp,gas	220.07	J/mol×K	476.68	Joback Calculated Property
Cp,gas	233.21	J/mol×K	510.54	Joback Calculated Property
Cp,gas	245.45	J/mol×K	544.41	Joback Calculated Property
Cp,gas	256.90	J/mol×K	578.27	Joback Calculated Property
Cp,liquid	187.36	J/mol×K	299.81	NIST
Csat	[154.60; 187.50]	J/mol×K	[210.00; 300.00]
Csat	154.60	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
Csat	157.50	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
Csat	160.70	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
Csat	164.20	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
Csat	167.80	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
Csat	171.70	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
Csat	175.60	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
Csat	176.80	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
Csat	179.60	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
Csat	183.60	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
Csat	186.80	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
Csat	187.50	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
ΔfusH	[1.09; 6.49]	kJ/mol	[146.80; 203.70]
ΔfusH	6.49	kJ/mol	146.80	NIST
ΔfusH	1.09	kJ/mol	203.70	NIST
ΔfusH	1.09	kJ/mol	203.70	NIST
ΔvapH	[30.29; 34.00]	kJ/mol	[323.50; 361.00]
ΔvapH	34.00	kJ/mol	323.50	NIST
ΔvapH	33.80	kJ/mol	325.50	NIST
ΔvapH	30.29	kJ/mol	361.00	KDB
n0	1.41091		298.15	KDB
ρl	759.00	kg/m3	289.00	KDB
ΔfusS	[5.34; 44.18]	J/mol×K	[146.80; 203.70]
ΔfusS	44.18	J/mol×K	146.80	NIST
ΔfusS	5.34	J/mol×K	203.70	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[261.51; 385.78]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42167e+01
Coefficient B			-3.06828e+03
Coefficient C			-4.12340e+01
Temperature range, min.			261.51
Temperature range, max.			385.78
Pvap	1.33	kPa	261.51	Calculated Property
Pvap	3.03	kPa	275.32	Calculated Property
Pvap	6.29	kPa	289.13	Calculated Property
Pvap	12.09	kPa	302.93	Calculated Property
Pvap	21.76	kPa	316.74	Calculated Property
Pvap	37.02	kPa	330.55	Calculated Property
Pvap	60.01	kPa	344.36	Calculated Property
Pvap	93.27	kPa	358.16	Calculated Property
Pvap	139.72	kPa	371.97	Calculated Property
Pvap	202.64	kPa	385.78	Calculated Property
Pvap	[9.19e-03; 3463.34]	kPa	[203.36; 547.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.87017e+01
Coefficient B			-6.92875e+03
Coefficient C			-1.12381e+01
Coefficient D			9.90988e-06
Temperature range, min.			203.36
Temperature range, max.			547.00
Pvap	9.19e-03	kPa	203.36	Calculated Property
Pvap	0.34	kPa	241.54	Calculated Property
Pvap	4.03	kPa	279.72	Calculated Property
Pvap	23.50	kPa	317.91	Calculated Property
Pvap	87.75	kPa	356.09	Calculated Property
Pvap	244.22	kPa	394.27	Calculated Property
Pvap	557.63	kPa	432.45	Calculated Property
Pvap	1112.54	kPa	470.64	Calculated Property
Pvap	2024.61	kPa	508.82	Calculated Property
Pvap	3463.34	kPa	547.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1,1-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• 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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