Chemical Properties of Cyclopropanecarbonyl chloride, 2-phenyl-, trans- (CAS 939-87-7)

InChI

InChI=1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2

InChI Key

SODZBMGDYKEZJG-UHFFFAOYSA-N

Formula

C10H9ClO

SMILES

O=C(Cl)C1CC1c1ccccc1

Molecular Weight¹

180.63

CAS

939-87-7

Other Names

• trans-2-Phenylcyclopropane-1-carboxylic acid chloride
• Cyclopropanecarbonyl chloride, 2-phenyl-, (E)-
• 2-Phenylcyclopropanecarbonyl chloride, trans-
• trans-2-Phenyl-1-cyclopropanecarbonyl chloride
• 2-Phenylcyclopropanecarbonyl chloride
• trans-2-phenylcyclopropanecarbonyl chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
logPoct/wat	2.555		Crippen Calculated Property
McVol	130.950	ml/mol	McGowan Calculated Property
Inp	[1415.00; 1415.00]
Inp	1415.00		NIST
Inp	1415.00		NIST
Tboil	510.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[290.05; 360.22]	J/mol×K	[548.45; 785.45]
Cp,gas	290.05	J/mol×K	548.45	Joback Calculated Property
Cp,gas	304.28	J/mol×K	587.95	Joback Calculated Property
Cp,gas	317.40	J/mol×K	627.45	Joback Calculated Property
Cp,gas	329.47	J/mol×K	666.95	Joback Calculated Property
Cp,gas	340.59	J/mol×K	706.45	Joback Calculated Property
Cp,gas	350.81	J/mol×K	745.95	Joback Calculated Property
Cp,gas	360.22	J/mol×K	785.45	Joback Calculated Property
η	[0.0006422; 0.0021337]	Pa×s	[322.43; 548.45]
η	0.0021337	Pa×s	322.43	Joback Calculated Property
η	0.0015731	Pa×s	360.10	Joback Calculated Property
η	0.0012287	Pa×s	397.77	Joback Calculated Property
η	0.0010017	Pa×s	435.44	Joback Calculated Property
η	0.0008436	Pa×s	473.11	Joback Calculated Property
η	0.0007287	Pa×s	510.78	Joback Calculated Property
η	0.0006422	Pa×s	548.45	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclopropanecarbonyl chloride, 2-phenyl-, trans-.

Sources

• Cheméo Relay (1.0)
• 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

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.
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