Name: TRANS-4-(4-PROPYLCYCLOHEXYL)-PHENYLACETYLENE
SKU: 88074-73-1

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Basic Information

Molecular Structure:
CAS No.:	88074-73-1
Name:	TRANS-4-(4-PROPYLCYCLOHEXYL)-PHENYLACETYLENE
Article Data:	2

Formula:	C₁₇H₂₂
Molecular Weight:	226.36
Synonyms:	Benzene,1-ethynyl-4-(4-propylcyclohexyl)-, trans-;4-(trans-4-Propylcyclohexyl)phenylacetylene;p-(trans-4-Propylcyclohexyl)phenylacetylene;trans-4-Ethynyl-1-(4-propylcyclohexyl)benzene;
Density:	0.95 g/cm³
Melting Point:	38 °C
Boiling Point:	321.2 °C at 760 mmHg
Flash Point:	142.6 °C
PSA:	0.00000
LogP:	4.74180

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Specification

The trans-4-(4-Propylcyclohexyl)phenylacetylene with its cas register number is 88074-73-1. It also can be called as Benzene,1-ethynyl-4-(trans-4-propylcyclohexyl)- and the Systematic name about this chemical is 1-ethynyl-4-(4-propylcyclohexyl)benzene.

Physical properties about trans-4-(4-Propylcyclohexyl)phenylacetylene are: (1)ACD/LogP: 6.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.47; (4)ACD/LogD (pH 7.4): 6.47; (5)ACD/BCF (pH 5.5): 49042.57; (6)ACD/BCF (pH 7.4): 49042.57; (7)ACD/KOC (pH 5.5): 79267.39; (8)ACD/KOC (pH 7.4): 79267.39; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 73.39 cm³; (12)Molar Volume: 237.4 cm³; (13)Polarizability: 29.09x10^-24cm³; (14)Surface Tension: 37.7 dyne/cm; (15)Enthalpy of Vaporization: 54.06 kJ/mol; (16)Vapour Pressure: 0.000567 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC1CCC(CC1)c2ccc(cc2)C#C
(2)InChI: InChI=1/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h2,6-7,10-11,15,17H,3,5,8-9,12-13H2,1H3
(3)InChIKey: HLUVLSYQSNGSKG-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h2,6-7,10-11,15,17H,3,5,8-9,12-13H2,1H3
(5)Std. InChIKey: HLUVLSYQSNGSKG-UHFFFAOYSA-N