Chemical Properties of Cyclopentane, 1,1,2-trimethyl- (CAS 4259-00-1)

InChI

InChI=1S/C8H16/c1-7-5-4-6-8(7,2)3/h7H,4-6H2,1-3H3

InChI Key

WINCSBAYCULVDU-UHFFFAOYSA-N

Formula

C8H16

SMILES

CC1CCCC1(C)C

Molecular Weight¹

112.22

CAS

4259-00-1

Other Names

• 1,1,2-Trimethylcyclopentane
• Camphocean

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2516		Passut and Danner (1973), critical constants and acentric factors Compiled value
ΔfusH°	5.18	kJ/mol	Joback Calculated Property
ΔvapH°	37.20	kJ/mol	NIST
IE	9.13	eV	Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2938.55	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Inp	[721.00; 779.00]
Inp	749.00		NIST
Inp	768.60		NIST
Inp	Outlier 721.00		NIST
Inp	Outlier 725.00		NIST
Inp	Outlier 729.00		NIST
Inp	758.00		NIST
Inp	763.00		NIST
Inp	768.00		NIST
Inp	772.60		NIST
Inp	777.90		NIST
Inp	758.90		NIST
Inp	761.40		NIST
Inp	763.80		NIST
Inp	766.30		NIST
Inp	763.40		NIST
Inp	756.00		NIST
Inp	758.00		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	765.00		NIST
Inp	768.00		NIST
Inp	764.40		NIST
Inp	764.80		NIST
Inp	762.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	768.40		NIST
Inp	768.40		NIST
Inp	763.00		NIST
Inp	768.00		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	764.00		NIST
Inp	767.00		NIST
Inp	770.00		NIST
Inp	749.00		NIST
Inp	760.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	779.00		NIST
Inp	774.00		NIST
Inp	760.30		NIST
Inp	761.10		NIST
Inp	759.70		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	775.00		NIST
Inp	760.00		NIST
Inp	767.00		NIST
Inp	761.00		NIST
Inp	766.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	762.60		NIST
Inp	763.90		NIST
Inp	766.10		NIST
Inp	767.90		NIST
Inp	769.40		NIST
Inp	770.80		NIST
Inp	762.00		NIST
Inp	764.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	769.00		NIST
Inp	770.00		NIST
Inp	761.00		NIST
Inp	779.00		NIST
Inp	763.00		NIST
Inp	764.00		NIST
Inp	759.00		NIST
Inp	749.00		NIST
Inp	761.00		NIST
Inp	749.00		NIST
Inp	774.00		NIST
Tboil	[386.85; 386.90]	K
Tboil	386.88	K	KDB
Tboil	386.90 ± 0.20	K	NIST
Tboil	386.87 ± 0.02	K	NIST
Tboil	386.85 ± 0.30	K	NIST
Tc	579.54	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tfus	[251.20; 251.51]	K
Tfus	251.35	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	251.20 ± 0.40	K	NIST
Tfus	251.48 ± 0.15	K	NIST
Tfus	251.51 ± 0.05	K	NIST
Tfus	251.20 ± 0.40	K	NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.30; 429.34]	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			-1.08920e+02
Coefficient B			1.16096e+00
Coefficient C			-1.01600e-03
Coefficient D			3.93300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.30	J/mol×K	273.00	Calculated Property
Cp,gas	192.06	J/mol×K	353.78	Calculated Property
Cp,gas	236.00	J/mol×K	434.56	Calculated Property
Cp,gas	273.37	J/mol×K	515.33	Calculated Property
Cp,gas	305.42	J/mol×K	596.11	Calculated Property
Cp,gas	333.39	J/mol×K	676.89	Calculated Property
Cp,gas	358.52	J/mol×K	757.67	Calculated Property
Cp,gas	382.06	J/mol×K	838.44	Calculated Property
Cp,gas	405.25	J/mol×K	919.22	Calculated Property
Cp,gas	429.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.20; 202.67]	kPa	[251.51; 414.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38657e+01
Coefficient B			-3.11289e+03
Coefficient C			-5.02760e+01
Temperature range, min.			251.51
Temperature range, max.			414.18
Pvap	0.20	kPa	251.51	Calculated Property
Pvap	0.72	kPa	269.58	Calculated Property
Pvap	2.12	kPa	287.66	Calculated Property
Pvap	5.37	kPa	305.73	Calculated Property
Pvap	12.01	kPa	323.81	Calculated Property
Pvap	24.31	kPa	341.88	Calculated Property
Pvap	45.32	kPa	359.96	Calculated Property
Pvap	78.89	kPa	378.03	Calculated Property
Pvap	129.61	kPa	396.11	Calculated Property
Pvap	202.67	kPa	414.18	Calculated Property
Pvap	[6.35; 107.75]	kPa	[309.15; 389.15]	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			8.48795e+01
Coefficient B			-7.22220e+03
Coefficient C			-1.05427e+01
Coefficient D			8.15777e-06
Coefficient E			0.00000e+00
Temperature range, min.			309.15
Temperature range, max.			389.15
Pvap	6.35	kPa	309.15	Calculated Property
Pvap	9.46	kPa	318.04	Calculated Property
Pvap	13.75	kPa	326.93	Calculated Property
Pvap	19.51	kPa	335.82	Calculated Property
Pvap	27.10	kPa	344.71	Calculated Property
Pvap	36.91	kPa	353.59	Calculated Property
Pvap	49.37	kPa	362.48	Calculated Property
Pvap	64.98	kPa	371.37	Calculated Property
Pvap	84.25	kPa	380.26	Calculated Property
Pvap	107.75	kPa	389.15	Calculated Property
Pvap	[6.41; 104.02]	kPa	[309.36; 387.84]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37077e+01
Coefficient B			-3.02415e+03
Coefficient C			-5.41660e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			309.36
Temperature range, max.			387.84
Pvap	6.41	kPa	309.36	Calculated Property
Pvap	9.48	kPa	318.08	Calculated Property
Pvap	13.67	kPa	326.80	Calculated Property
Pvap	19.28	kPa	335.52	Calculated Property
Pvap	26.64	kPa	344.24	Calculated Property
Pvap	36.11	kPa	352.96	Calculated Property
Pvap	48.11	kPa	361.68	Calculated Property
Pvap	63.10	kPa	370.40	Calculated Property
Pvap	81.56	kPa	379.12	Calculated Property
Pvap	104.02	kPa	387.84	Calculated Property
Pvap	[6.41; 104.02]	kPa	[309.36; 387.84]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37077e+01
Coefficient B			-3.02415e+03
Coefficient C			-5.41660e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			309.36
Temperature range, max.			387.84
Pvap	6.41	kPa	309.36	Calculated Property
Pvap	9.48	kPa	318.08	Calculated Property
Pvap	13.67	kPa	326.80	Calculated Property
Pvap	19.28	kPa	335.52	Calculated Property
Pvap	26.64	kPa	344.24	Calculated Property
Pvap	36.11	kPa	352.96	Calculated Property
Pvap	48.11	kPa	361.68	Calculated Property
Pvap	63.10	kPa	370.40	Calculated Property
Pvap	81.56	kPa	379.12	Calculated Property
Pvap	104.02	kPa	387.84	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1,1,2-trimethyl-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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