Chemical Properties of Cyclopentane, 1,2-dimethyl-, trans- (CAS 822-50-4)

InChI

InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1

InChI Key

RIRARCHMRDHZAR-BQBZGAKWSA-N

Formula

C7H14

SMILES

CC1CCCC1C

Molecular Weight¹

98.19

CAS

822-50-4

Other Names

• (E)-1,2-Dimethylcyclopentane
• 1,2-Dimethylcyclopentane, trans
• 1,TRANS-2-DIMETHYLCYCLOPENTANE
• Cyclopentane, 1,2-dimethyl-
• TRANS-1,2-DIMETHYLCYCLOPENTANE
• t-1,2-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).
• 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_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.
• 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	0.2690		KDB
AP	319.850	K	KDB
ΔcH°liquid	-4584.20 ± 1.10	kJ/mol	NIST
ΔfG°	38.39	kJ/mol	KDB
Δc,grossH	4584.16	kJ/mol	KDB
Δc,netH	4276.090	kJ/mol	KDB
ΔfH°gas	[-136.80; -136.70]	kJ/mol
ΔfH°gas	-136.80	kJ/mol	KDB
ΔfH°gas	-136.70 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-171.30 ± 1.20	kJ/mol	NIST
ΔfusH°	8.89	kJ/mol	Joback Calculated Property
ΔvapH°	[34.60; 34.60]	kJ/mol
ΔvapH°	34.60	kJ/mol	NIST
ΔvapH°	34.60	kJ/mol	NIST
IE	[9.48; 9.95]	eV
IE	9.48 ± 0.05	eV	NIST
IE	9.95 ± 0.05	eV	NIST
log10WS	-2.16		Crippen Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	98.630	ml/mol	McGowan Calculated Property
Pc	3440.00	kPa	KDB
Inp	[681.78; 702.00]
Inp	685.60		NIST
Inp	689.10		NIST
Inp	694.10		NIST
Inp	685.00		NIST
Inp	690.00		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	691.20		NIST
Inp	690.70		NIST
Inp	686.00		NIST
Inp	690.00		NIST
Inp	693.00		NIST
Inp	690.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	687.10		NIST
Inp	688.80		NIST
Inp	690.50		NIST
Inp	692.20		NIST
Inp	685.00		NIST
Inp	686.00		NIST
Inp	688.00		NIST
Inp	690.00		NIST
Inp	691.00		NIST
Inp	693.00		NIST
Inp	690.90		NIST
Inp	691.20		NIST
Inp	689.00		NIST
Inp	689.00		NIST
Inp	690.00		NIST
Inp	688.00		NIST
Inp	689.00		NIST
Inp	696.60		NIST
Inp	692.00		NIST
Inp	691.60		NIST
Inp	691.60		NIST
Inp	697.00		NIST
Inp	691.00		NIST
Inp	695.00		NIST
Inp	689.00		NIST
Inp	692.00		NIST
Inp	689.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	694.00		NIST
Inp	696.00		NIST
Inp	689.80		NIST
Inp	689.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	Outlier 702.00		NIST
Inp	686.00		NIST
Inp	690.00		NIST
Inp	693.00		NIST
Inp	696.00		NIST
Inp	693.00		NIST
Inp	Outlier 702.00		NIST
Inp	Outlier 700.00		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	686.60		NIST
Inp	681.78		NIST
Inp	682.48		NIST
Inp	690.90		NIST
Inp	686.00		NIST
Inp	684.12		NIST
Inp	684.18		NIST
Inp	683.95		NIST
Inp	684.01		NIST
Inp	684.00		NIST
Inp	689.00		NIST
Inp	689.00		NIST
Inp	692.00		NIST
Inp	693.00		NIST
Inp	687.00		NIST
Inp	685.00		NIST
Inp	687.00		NIST
Inp	Outlier 702.00		NIST
Inp	689.00		NIST
Inp	689.00		NIST
Inp	686.00		NIST
Inp	690.00		NIST
Inp	Outlier 702.00		NIST
Inp	687.00		NIST
Inp	685.60		NIST
Inp	691.00		NIST
Inp	690.00		NIST
Inp	687.10		NIST
Inp	686.00		NIST
Inp	690.90		NIST
Inp	688.00		NIST
Inp	691.60		NIST
Inp	692.00		NIST
Inp	696.00		NIST
Inp	Outlier 700.00		NIST
Inp	686.60		NIST
Inp	684.12		NIST
Tboil	[364.65; 365.10]	K
Tboil	365.00	K	KDB
Tboil	365.10	K	NIST
Tboil	365.00 ± 0.50	K	NIST
Tboil	Outlier 364.65 ± 1.50	K	NIST
Tboil	364.90 ± 0.50	K	NIST
Tboil	365.00 ± 0.50	K	NIST
Tboil	365.01 ± 0.02	K	NIST
Tboil	365.00 ± 0.00	K	NIST
Tboil	364.93 ± 0.30	K	NIST
Tboil	365.05 ± 0.20	K	NIST
Tboil	365.05 ± 0.30	K	NIST
Tboil	365.04 ± 0.20	K	NIST
Tboil	364.93 ± 0.30	K	NIST
Tboil	364.95 ± 0.60	K	NIST
Tboil	364.95 ± 0.30	K	NIST
Tboil	364.95 ± 0.50	K	NIST
Tc	553.20	K	KDB
Tfus	[153.00; 155.75]	K
Tfus	155.60	K	KDB
Tfus	155.58 ± 0.06	K	NIST
Tfus	155.54 ± 0.08	K	NIST
Tfus	155.57 ± 0.05	K	NIST
Tfus	155.75 ± 0.50	K	NIST
Tfus	154.20 ± 2.00	K	NIST
Tfus	154.00 ± 2.00	K	NIST
Tfus	153.00 ± 3.00	K	NIST
Ttriple	[154.10; 154.20]	K
Ttriple	154.10 ± 0.20	K	NIST
Ttriple	154.20 ± 0.10	K	NIST
Vc	0.362	m3/kmol	KDB
Zc	0.2707370		KDB
Zra	0.28		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.95; 256.86]	J/mol×K	[370.17; 563.52]
Cp,gas	173.95	J/mol×K	370.17	Joback Calculated Property
Cp,gas	189.42	J/mol×K	402.40	Joback Calculated Property
Cp,gas	204.20	J/mol×K	434.62	Joback Calculated Property
Cp,gas	218.32	J/mol×K	466.85	Joback Calculated Property
Cp,gas	231.80	J/mol×K	499.07	Joback Calculated Property
Cp,gas	244.64	J/mol×K	531.30	Joback Calculated Property
Cp,gas	256.86	J/mol×K	563.52	Joback Calculated Property
η	[0.0002650; 0.0017720]	Pa×s	[175.31; 370.17]
η	0.0017720	Pa×s	175.31	Joback Calculated Property
η	0.0010080	Pa×s	207.79	Joback Calculated Property
η	0.0006678	Pa×s	240.26	Joback Calculated Property
η	0.0004881	Pa×s	272.74	Joback Calculated Property
η	0.0003813	Pa×s	305.22	Joback Calculated Property
η	0.0003124	Pa×s	337.69	Joback Calculated Property
η	0.0002650	Pa×s	370.17	Joback Calculated Property
ΔvapH	[30.86; 34.20]	kJ/mol	[331.00; 365.00]
ΔvapH	34.20	kJ/mol	331.00	NIST
ΔvapH	34.00	kJ/mol	332.50	NIST
ΔvapH	30.86	kJ/mol	365.00	KDB
n0	1.40941		298.15	KDB
ρl	756.00	kg/m3	289.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[263.83; 390.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42695e+01
Coefficient B			-3.15242e+03
Coefficient C			-3.83640e+01
Temperature range, min.			263.83
Temperature range, max.			390.27
Pvap	1.33	kPa	263.83	Calculated Property
Pvap	3.03	kPa	277.88	Calculated Property
Pvap	6.28	kPa	291.93	Calculated Property
Pvap	12.06	kPa	305.98	Calculated Property
Pvap	21.70	kPa	320.03	Calculated Property
Pvap	36.93	kPa	334.07	Calculated Property
Pvap	59.89	kPa	348.12	Calculated Property
Pvap	93.14	kPa	362.17	Calculated Property
Pvap	139.61	kPa	376.22	Calculated Property
Pvap	202.63	kPa	390.27	Calculated Property
Pvap	[3.31e-06; 3453.89]	kPa	[155.58; 553.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.22511e+01
Coefficient B			-6.78492e+03
Coefficient C			-1.01964e+01
Coefficient D			8.36227e-06
Temperature range, min.			155.58
Temperature range, max.			553.15
Pvap	3.31e-06	kPa	155.58	Calculated Property
Pvap	4.55e-03	kPa	199.75	Calculated Property
Pvap	0.33	kPa	243.93	Calculated Property
Pvap	5.20	kPa	288.10	Calculated Property
Pvap	34.99	kPa	332.28	Calculated Property
Pvap	139.81	kPa	376.45	Calculated Property
Pvap	401.90	kPa	420.63	Calculated Property
Pvap	932.68	kPa	464.80	Calculated Property
Pvap	1879.89	kPa	508.98	Calculated Property
Pvap	3453.89	kPa	553.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, 1,2-dimethyl-, trans-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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