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

• ω : Acentric Factor.
• 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_fH°_gas : 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3749		Relay (1.0) Calculated Property
ΔfG°	57.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-39.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
ΔvapH°	60.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	2.555		Crippen Calculated Property
McVol	130.950	ml/mol	McGowan Calculated Property
Pc	3364.54	kPa	Joback Calculated Property
Inp	[1415.00; 1415.00]
Inp	1415.00		NIST
Inp	1415.00		NIST
Tboil	510.68	K	Relay (1.0) Calculated Property
Tc	760.84	K	Relay (1.0) Calculated Property
Tfus	270.65	K	Relay (1.0) Calculated Property
Vc	0.458	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.98; 360.15]	J/mol×K	[548.25; 785.16]
Cp,gas	289.98	J/mol×K	548.25	Joback Calculated Property
Cp,gas	304.21	J/mol×K	587.74	Joback Calculated Property
Cp,gas	317.32	J/mol×K	627.22	Joback Calculated Property
Cp,gas	329.40	J/mol×K	666.71	Joback Calculated Property
Cp,gas	340.52	J/mol×K	706.19	Joback Calculated Property
Cp,gas	350.74	J/mol×K	745.68	Joback Calculated Property
Cp,gas	360.15	J/mol×K	785.16	Joback Calculated Property
η	[0.0006426; 0.0021337]	Pa×s	[322.43; 548.25]
η	0.0021337	Pa×s	322.43	Joback Calculated Property
η	0.0015735	Pa×s	360.07	Joback Calculated Property
η	0.0012292	Pa×s	397.70	Joback Calculated Property
η	0.0010022	Pa×s	435.34	Joback Calculated Property
η	0.0008441	Pa×s	472.98	Joback Calculated Property
η	0.0007291	Pa×s	510.61	Joback Calculated Property
η	0.0006426	Pa×s	548.25	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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