Chemical Properties of Cyclopropane, 1,1-diethyl- (CAS 1003-19-6)

InChI

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

InChI Key

VUROAZUCSQPSOK-UHFFFAOYSA-N

Formula

C7H14

SMILES

CCC1(CC)CC1

Molecular Weight¹

98.19

CAS

1003-19-6

Other Names

• 1,1-Diethylcyclopropane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	5.72	kJ/mol	Joback Calculated Property
IE	8.56 ± 0.05	eV	NIST
logPoct/wat	2.587		Crippen Calculated Property
McVol	98.630	ml/mol	McGowan Calculated Property
Inp	[672.80; 673.00]
Inp	673.00		NIST
Inp	672.80		NIST
Inp	673.00		NIST
Inp	673.00		NIST
Tboil	[361.79; 361.82]	K
Tboil	361.82 ± 0.50	K	NIST
Tboil	361.79 ± 0.30	K	NIST
Tboil	361.79 ± 0.30	K	NIST
Tboil	361.81 ± 0.20	K	NIST
Tboil	361.82 ± 0.25	K	NIST
Tfus	[167.05; 167.24]	K
Tfus	167.24 ± 0.20	K	NIST
Tfus	167.05 ± 0.20	K	NIST
Tfus	167.05 ± 0.25	K	NIST
Tfus	167.09 ± 0.30	K	NIST
Tfus	167.24 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.76; 251.00]	J/mol×K	[366.54; 552.93]
Cp,gas	177.76	J/mol×K	366.54	Joback Calculated Property
Cp,gas	192.34	J/mol×K	397.60	Joback Calculated Property
Cp,gas	205.86	J/mol×K	428.67	Joback Calculated Property
Cp,gas	218.40	J/mol×K	459.73	Joback Calculated Property
Cp,gas	230.05	J/mol×K	490.80	Joback Calculated Property
Cp,gas	240.89	J/mol×K	521.86	Joback Calculated Property
Cp,gas	251.00	J/mol×K	552.93	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[269.44; 384.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52932e+01
Coefficient B			-3.41693e+03
Coefficient C			-4.17300e+01
Temperature range, min.			269.44
Temperature range, max.			384.05
Pvap	1.33	kPa	269.44	Calculated Property
Pvap	2.95	kPa	282.17	Calculated Property
Pvap	6.03	kPa	294.91	Calculated Property
Pvap	11.51	kPa	307.64	Calculated Property
Pvap	20.71	kPa	320.38	Calculated Property
Pvap	35.40	kPa	333.11	Calculated Property
Pvap	57.84	kPa	345.85	Calculated Property
Pvap	90.85	kPa	358.58	Calculated Property
Pvap	137.81	kPa	371.32	Calculated Property
Pvap	202.67	kPa	384.05	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropane, 1,1-diethyl-.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.